2-[bis(3,5-dibromo-4-methoxy-phenyl)methyl]benzoic acid 5449-82-1 CAS NO.5449-82-1

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Product Details

Keywords

2-[bis(3,5-dibromo-4-methoxy-phenyl)methyl]benzoic acid
5449-82-1
98%

Quick Details

ProName: 2-[bis(3,5-dibromo-4-methoxy-phenyl)me...
CasNo: 5449-82-1
Molecular Formula: C22H16Br4O4
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: according to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram
Grade: Industrial Grade

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Details

【Name】
2-[bis(3,5-dibromo-4-methoxyphenyl)methyl]benzoic acid
【CAS Registry number】
5449-82-1
【Synonyms】
2-[bis(3,5-dibromo-4-methoxyphenyl)methyl]benzoic acid
NSC16434
AC1L5ELU
AC1Q25RS
AR-1D7065
NSC-16434
【Molecular Formula】
C22H16Br4O4 (Products with the same molecular formula)
【Molecular Weight】
663.976
【Inchi】
InChI=1/C22H16Br4O4/c1-29-20-15(23)7-11(8-16(20)24)19(13-5-3-4-6-14(13)22(27)28)12-9-17(25)21(30-2)18(26)10-12/h3-10,19H,1-2H3,(H,27,28)
【Canonical SMILES】
COC1=C(C=C(C=C1Br)C(C2=CC=CC=C2C(=O)O)C3=CC(=C(C(=C3)Br)OC)Br)Br
【MOL File】
5449-82-1.mol
Chemical and Physical Properties
【Density】
1.854g/cm3
【Boiling Point】
658.4°C at 760 mmHg
【Refractive Index】
1.652
【Flash Point】
352°C
【Computed Properties】
Molecular Weight:663.97604 [g/mol]
Molecular Formula:C22H16Br4O4
XLogP3-AA:7.5
H-Bond Donor:1
H-Bond Acceptor:4
Rotatable Bond Count:6
Exact Mass:663.774116
MonoIsotopic Mass:659.778209
Topological Polar Surface Area:55.8
Heavy Atom Count:30
Formal Charge:0
Complexity:523
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:4
Feature 3D Anion Count:1
Feature 3D Hydrophobe Count:4
Feature 3D Ring Count:3
Effective Rotor Count:6
Conformer Sampling RMSD:0.8
CID Conformer Count:23

Henan Tianfu Chemical Co., Ltd.