AG00BCAV

25699-83-6 | 4-PYRAZOL-1-YL-BENZONITRILE

AG00BCAV

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CAS Number	25699-83-6
Catalog Number	AG00BCAV(AGN-PC-07CJGH)
Chemical Name	4-PYRAZOL-1-YL-BENZONITRILE
IUPAC Name	4-pyrazol-1-ylbenzonitrile
InChI	InChI=1S/C10H7N3/c11-8-9-2-4-10(5-3-9)13-7-1-6-12-13/h1-7H
InChI Key	SLPWCEHHSRUSKN-UHFFFAOYSA-N
MDL Number	MFCD09033533
Molecular Formula	C10H7N3
Molecular Weight	169.1827
SMILES	N#CC1=CC=C(N2N=CC=C2)C=C1
Synonyms	4-(1H-pyrazol-1-yl)benzonitrile, 25699-83-6, 4-pyrazol-1-yl-benzonitrile, (-)-Paclitaxel, ACMC-20af70, SCHEMBL44890, 4-(pyrazol-1-yl)benzonitrile, KS-00000EXX, SLPWCEHHSRUSKN-UHFFFAOYSA-N, 4-(1H-Pyrazole-1-yl)benzonitrile, 4-(1H-pyrazol-1-yl)-benzonitrile, ANW-70618, MFCD09033533, ZINC19867812, AKOS000222226, AS-5676, Benzonitrile, 4-(1H-pyrazol-1-yl)-, DS-2590, RP23157, AJ-75529, AK108365, CJ-16463, AB0003690, TC-159363, CS-0019014, FT-0678638, Z4504, M-8052, C10H7N3, 4-(1H-pyrazol-3-yl)benzonitrile, MFCD01569438, ACN-000836, 4-(1H-pyrazol-1-yl)benzonitrile, 95% - 1G 1g, 33069-62-4, 474706-35-9,

Complexity	210
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.064g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	169.187g/mol
Monoisotopic Mass	169.064g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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