AG00D8OT

53553-14-3 | METHYL 2-CHLORO-3-NITROBENZOATE

AG00D8OT

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CAS Number	53553-14-3
Catalog Number	AG00D8OT(AGN-PC-0N9Y59)
Chemical Name	METHYL 2-CHLORO-3-NITROBENZOATE
IUPAC Name	methyl 2-chloro-3-nitrobenzoate
InChI	InChI=1S/C8H6ClNO4/c1-14-8(11)5-3-2-4-6(7(5)9)10(12)13/h2-4H,1H3
InChI Key	JBCQPBVZKBEHNF-UHFFFAOYSA-N
MDL Number	MFCD00482383
Molecular Formula	C8H6ClNO4
Molecular Weight	215.5905
SMILES	O=C(OC)C1=CC=CC([N+]([O-])=O)=C1Cl
Synonyms	METHYL 2-CHLORO-3-NITROBENZOATE, 53553-14-3, C8H6ClNO4, Benzoic acid, 2-chloro-3-nitro-, methyl ester, 2-Chloro-3-nitrobenzoic acid methyl ester, Benzoicacid, 2-chloro-3-nitro-, methyl ester, SCHEMBL544309, CTK4J8358, JBCQPBVZKBEHNF-UHFFFAOYSA-N, 7382AH, MFCD00482383, ZINC34431484, 2-chloro-3-methoxycarbonylnitrobenzene, AKOS005138017, WT81716, 2-Chloro-3-methoxycarbonyl-nitrobenzene, KS-0000246I, METHYL-2-CHLORO-3-NITROBENZOATE, 3-Nitro-2-chlorobenzoic acid methylester, AJ-88504, AK-75541, DA-05125, 2-Chloro-3-nitro-benzoic acid methyl ester, 2-Chloro-3-nitrobenzoic acid, methyl ester, TX-010163, CS-0042098, FT-0750994, Methyl 2-chloro-3-nitro-benzoate, METHYL2-CHLORO-3-NITROBENZOATE, ACN-051469, CS-4172, CID10751184,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.999g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	215.589g/mol
Monoisotopic Mass	214.999g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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