AG00FAT4

6575-10-6 | 2-Chloro-6-methoxybenzonitrile

AG00FAT4

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CAS Number	6575-10-6
Catalog Number	AG00FAT4(AGN-PC-0JLSZY)
Chemical Name	2-Chloro-6-methoxybenzonitrile
EC Number	229-500-9
IUPAC Name	2-chloro-6-methoxybenzonitrile
InChI	InChI=1S/C8H6ClNO/c1-11-8-4-2-3-7(9)6(8)5-10/h2-4H,1H3
InChI Key	YRGCKBHUZNQXEL-UHFFFAOYSA-N
MDL Number	MFCD00019743
Molecular Formula	C8H6ClNO
Molecular Weight	167.5923
SMILES	C1=C(C(=C(C=C1)Cl)C#N)OC
Synonyms	2-Chloro-6-methoxybenzonitrile, 6575-10-6, Benzonitrile, 2-chloro-6-methoxy-, MFCD00019743, 4-Bromo-4-methylphenol, AC1L30IO, 2-methoxy-6-chlorobenzonitrile, SCHEMBL5007730, CTK2F8756, DTXSID00215955, YRGCKBHUZNQXEL-UHFFFAOYSA-N, ZINC394832, EINECS 229-500-9, ANW-51727, AKOS009045776, FS-2769, RP23040, VZ24352, AC-28610, AJ-21446, AK-24451, BR-24451, ZB012451, 2-Chloro-6-methoxybenzonitrile, AldrichCPR, DB-020888, ST2409902, TR-022335, 4CH-015121, FT-0636185, W7700, S-3351, Z-8522, J-508951, C8H6ClNO, CID81055, ZINC00394832,

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	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number