3-[1-(4-methylphenyl)-1H-tetrazol-5-yl]pyridine(CAS No. 5454-86-4) CAS NO.5454-86-4

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Product Details

Keywords

3-[1-(4-methylphenyl)tetrazol-5-yl]pyridine
5454-86-4
98%

Quick Details

ProName: 3-[1-(4-methylphenyl)-1H-tetrazol-5-yl...
CasNo: 5454-86-4
Molecular Formula: C13H11N5
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: according to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 1 Metric Ton/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram

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Details

【Name】
3-[1-(4-methylphenyl)-1H-tetrazol-5-yl]pyridine
【CAS Registry number】
5454-86-4
【Synonyms】
MLS000738014
3-[1-(4-methylphenyl)-1h-tetrazol-5-yl]pyridine
NSC23247
AC1L5HGS
AC1Q4YJS
HMS2764I17
AR-1F0840
NSC-23247
ZINC01602509
SMR000393690
3-[1-(4-methylphenyl)tetrazol-5-yl]pyridine
【Molecular Formula】
C13H11N5 (Products with the same molecular formula)
【Molecular Weight】
237.2599
【Inchi】
InChI=1/C13H11N5/c1-10-4-6-12(7-5-10)18-13(15-16-17-18)11-3-2-8-14-9-11/h2-9H,1H3
【Canonical SMILES】
CC1=CC=C(C=C1)N2C(=NN=N2)C3=CN=CC=C3
【MOL File】
5454-86-4.mol
Chemical and Physical Properties
【Density】
1.28g/cm3
【Boiling Point】
441.3°C at 760 mmHg
【Refractive Index】
1.69
【Flash Point】
220.7°C
【Computed Properties】
Molecular Weight:237.25994 [g/mol]
Molecular Formula:C13H11N5
XLogP3-AA:2.2
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:2
Exact Mass:237.101445
MonoIsotopic Mass:237.101445
Topological Polar Surface Area:56.5
Heavy Atom Count:18
Formal Charge:0
Complexity:264
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:1
Feature 3D Cation Count:1
Feature 3D Ring Count:3
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:5

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