AG007S7C

112809-25-3 | Benzonitrile,4-(1H-1,2,4-triazol-1-ylmethyl)-

AG007S7C

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CAS Number	112809-25-3
Catalog Number	AG007S7C(AGN-PC-0M0OQ2)
Chemical Name	Benzonitrile,4-(1H-1,2,4-triazol-1-ylmethyl)-
EC Number	601-203-2
IUPAC Name	4-(1,2,4-triazol-1-ylmethyl)benzonitrile
InChI	InChI=1S/C10H8N4/c11-5-9-1-3-10(4-2-9)6-14-8-12-7-13-14/h1-4,7-8H,6H2
InChI Key	HQLYWHSJALKYOV-UHFFFAOYSA-N
MDL Number	MFCD07368016
Molecular Formula	C10H8N4
Molecular Weight	184.1973
SMILES	N#CC1=CC=C(CN2N=CN=C2)C=C1
Synonyms	112809-25-3, 4-(1H-1,2,4-triazol-1-ylmethyl)benzonitrile, 4-((1H-1,2,4-triazol-1-yl)methyl)benzonitrile, 4-(1H-1,2,4-Triazolylmethyl)benzonitrile, 4-(1,2,4-triazol-1-ylmethyl)benzonitrile, CHEMBL1825020, 4-[(1h-1,2,4-triazol-1-yl)methyl]benzonitrile, Benzonitrile, 4-(1H-1,2,4-triazol-1-ylmethyl)-, 4-[(1,2,4-triazol-1-yl)methyl]benzonitrile, 4-[1-(1,2,4-Triazolyl)methyl]benzontrile, 4-(1,2,4-triazolylmethyl)benzenecarbonitrile, Letrozole Impurity C, AC1ONMHB, PubChem14356, 4-(1H-1,2,4-Triazol-1-ylmethyl)-benzonitrile, AC1Q4R34, BEN164, SCHEMBL2285580, Jsp000988, CTK7C7789, HQLYWHSJALKYOV-UHFFFAOYSA-N, ACT08694, BCP22604, ZINC5177719, BDBM50351859, CT-069, CT-654, MFCD07368016, SBB055139, 1-(4-cyanobenzyl)-1,2,4-triazole, AKOS000198441, 1-(4-cyano-benzyl)-1,2,4-triazole, AC-6806, MCULE-6943277684, NE28590, RTC-020744, Q308, TS-02568, TC-020744, A2276, FT-0603758, FT-0648269, ST24032688, ST50949881, 4-[(1,2,4-triazol-1-yl)methy]benzonitrile, 4-[1-(1,2,4-triazolyl)methyl]-benzontrile, EN300-28861, 4-[1-(1,2,4-triazolyl)-methyl-benzonitrile, 4-(1h-1,2,4,-triazol-1-ylmethyl)benzonitrile, 4-(1H-1,2,4-triazol-1-ylmethyl) benzonitrile, 4-[1-(1,2,4-triazol-1-yl)methyl]benzonitrile, 4-[1-(1,2,4-triazole-1-yl)methyl]benzonitrile, 809T253, I14-1125, J-002843, Z235362259, C10H8N4, C10 H8 N4, ZINC05177719, ACN-040761, CID7537616, 4-[1-(1,2,4-triazolyl)-methyl]-benzonitrile, 4-((1H-1,2,4-Triazol-3-yl)methyl)benzonitrile, 4-[1-(1,2,4-Triazolyl)methyl]benzonitrile, Benzonitrilo, 4-(1h-1,2,4-triazol-1-ilmetil)-,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.075g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	184.202g/mol
Monoisotopic Mass	184.075g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	54.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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