AG00C0ZI

42087-81-0 | Methyl 3-chloro-2-nitrobenzoate

AG00C0ZI

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CAS Number	42087-81-0
Catalog Number	AG00C0ZI(AGN-PC-0WNO00)
Chemical Name	Methyl 3-chloro-2-nitrobenzoate
IUPAC Name	methyl 3-chloro-2-nitrobenzoate
InChI	InChI=1S/C8H6ClNO4/c1-14-8(11)5-3-2-4-6(9)7(5)10(12)13/h2-4H,1H3
InChI Key	VTWUVGLVDQXCJO-UHFFFAOYSA-N
MDL Number	MFCD04038813
Molecular Formula	C8H6ClNO4
Molecular Weight	215.5905
SMILES	O=C(OC)C1=CC=CC(Cl)=C1[N+]([O-])=O
Synonyms	METHYL 3-CHLORO-2-NITROBENZOATE, 42087-81-0, 3-Chloro-2-nitro-benzoic acid methyl ester, VTWUVGLVDQXCJO-UHFFFAOYSA-N, benzoic acid, 3-chloro-2-nitro-, methyl ester, ACMC-209jnf, SCHEMBL2211359, CTK1D4979, DTXSID70479668, ZINC2525469, 5802AB, ANW-29737, MFCD04038813, AKOS015848562, AJ-37443, CJ-08833, DA-42467, 2-Nitro-3-chlorobenzoic acid methyl ester, 3-chloro-2-nitrobenzoic acid methyl ester, ST2407202, TR-016533, 4CH-000463, FT-0726554, B-3615, I01-11539, C8H6ClNO4, METHYL3-CHLORO-2-NITROBENZOATE, ACN-030411,

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-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number