AG005IB5

80866-77-9 | 2-Chloro-6-nitroanisole

AG005IB5

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CAS Number	80866-77-9
Catalog Number	AG005IB5(AGN-PC-0JSPKL)
Chemical Name	2-Chloro-6-nitroanisole
EC Number	279-580-4
IUPAC Name	1-chloro-2-methoxy-3-nitrobenzene
InChI	InChI=1S/C7H6ClNO3/c1-12-7-5(8)3-2-4-6(7)9(10)11/h2-4H,1H3
InChI Key	MSBUQNLLSANFDL-UHFFFAOYSA-N
MDL Number	MFCD00065066
Molecular Formula	C7H6ClNO3
Molecular Weight	187.5804
SMILES	COC1=C([N+]([O-])=O)C=CC=C1Cl
Synonyms	2-Chloro-6-nitroanisole, 80866-77-9, 1-Chloro-2-methoxy-3-nitrobenzene, Benzene, 1-chloro-2-methoxy-3-nitro-, 3-Chloro-2-methoxynitrobenzene, EINECS 279-580-4, Anisole, 2-chloro-6-nitro-, 3-chloro-2-methoxy-1-nitrobenzene, ST012276, 1-chloro-2-methoxy-3-nitro-Benzene, AC1LC5YV, ACMC-1BM23, SCHEMBL3721283, CTK5E8258, MSBUQNLLSANFDL-UHFFFAOYSA-N, ALBB-023336, KS-00000MZ9, ZINC2169868, 2-chloro-6-nitrophenyl methyl ether, 3-chloro-2-methoxynitrobenzene 98%, ANW-37401, MFCD00065066, SBB090638, 1-Chloro-2-methoxy-3-nitrobenzene #, AKOS003368882, Benzene,1-chloro-2-methoxy-3-nitro-, AS05470, CM11694, MCULE-1214524725, TRA0069786, AC-22669, AJ-34024, AK-36435, AS-18056, TC-062653, A9968, FT-0712494, V7835, B-5412, AN-584/43342874, C7H6ClNO3, cc-381, C7-H6-Cl-N-O3, CID548512,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.004g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	187.579g/mol
Monoisotopic Mass	187.004g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precuationary statements	P280-P305+P351+P338
Siginal words

Certificate of Analysis

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