AG0003BH

100960-68-7 | 4-Chloro-2-methoxybenzonitrile

AG0003BH

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CAS Number	100960-68-7
Catalog Number	AG0003BH(AGN-PC-04HAIM)
Chemical Name	4-Chloro-2-methoxybenzonitrile
IUPAC Name	4-chloro-2-methoxybenzonitrile
InChI	InChI=1S/C8H6ClNO/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4H,1H3
InChI Key	RMEKKIFVJZOQEG-UHFFFAOYSA-N
MDL Number	MFCD09865166
Molecular Formula	C8H6ClNO
Molecular Weight	167.5923
SMILES	N#CC1=CC=C(Cl)C=C1OC
Synonyms	4-CHLORO-2-METHOXYBENZONITRILE, 100960-68-7, Benzonitrile, 4-chloro-2-methoxy-, ACMC-2097ti, SCHEMBL4857820, 4-Chloro-2-methoxy-benzonitrile, CTK8A8989, DTXSID70639967, RMEKKIFVJZOQEG-UHFFFAOYSA-N, 0308AA, ANW-14404, MFCD09865166, ZINC45028126, AKOS005147202, AM90004, MCULE-2599955763, AS-33149, CJ-20507, SC-32717, AJ-110244, TC-103149, FT-0732698, B-6242, Z1425858550, C8H6ClNO,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.014g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	167.592g/mol
Monoisotopic Mass	167.014g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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