AG00G5IM

84228-49-9 | Methyl 2-amino-5-chloro-3-nitrobenzoate

AG00G5IM

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CAS Number	84228-49-9
Catalog Number	AG00G5IM(AGN-PC-0JTU8F)
Chemical Name	Methyl 2-amino-5-chloro-3-nitrobenzoate
IUPAC Name	methyl 2-amino-5-chloro-3-nitrobenzoate
InChI	InChI=1S/C8H7ClN2O4/c1-15-8(12)5-2-4(9)3-6(7(5)10)11(13)14/h2-3H,10H2,1H3
InChI Key	ISMXPTNCRAJFPH-UHFFFAOYSA-N
MDL Number	MFCD02068568
Molecular Formula	C8H7ClN2O4
Molecular Weight	230.6052
SMILES	O=C(OC)C1=CC(Cl)=CC([N+]([O-])=O)=C1N
Synonyms	Methyl 2-amino-5-chloro-3-nitrobenzoate, 84228-49-9, Methyl2-amino-5-chloro-3-nitrobenzoate, ISMXPTNCRAJFPH-UHFFFAOYSA-N, Benzoic acid, 2-amino-5-chloro-3-nitro-, methyl ester, AC1LDBGC, SCHEMBL505205, DTXSID20346831, methyl 5-chloro-3-nitroanthranilate, ZINC5914881, MFCD02068568, AKOS022171553, AB10650, CM12365, AJ-55195, AS-33103, DA-02930, AX8258651, Methyl 2-amino-5-chloro-3-nitrobenzoate #, FT-0723949, 2-Amino-5-chloro-3-nitro-benzoic acid methyl ester, CID615489, ZINC05914881,

Complexity	268
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.009g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	230.604g/mol
Monoisotopic Mass	230.009g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	98.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number