AG00355Q

57113-91-4 | Methyl 2-amino-3-nitrobenzoate

AG00355Q

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CAS Number	57113-91-4
Catalog Number	AG00355Q(AGN-PC-0JTP5I)
Chemical Name	Methyl 2-amino-3-nitrobenzoate
IUPAC Name	methyl 2-amino-3-nitrobenzoate
InChI	InChI=1S/C8H8N2O4/c1-14-8(11)5-3-2-4-6(7(5)9)10(12)13/h2-4H,9H2,1H3
InChI Key	HDCLJQZLTMJECA-UHFFFAOYSA-N
MDL Number	MFCD02093531
Molecular Formula	C8H8N2O4
Molecular Weight	196.1601
SMILES	NC1=C(C(=O)OC)C=CC=C1[N+](=O)[O-]
Synonyms	Methyl 2-amino-3-nitrobenzoate, 57113-91-4, 2-Amino-3-nitrobenzoic acid methyl ester, 2-Amino-3-nitro-benzoic acid methyl ester, Methyl 3-Nitroanthranilate, Benzoic acid, 2-amino-3-nitro-, methyl ester, HDCLJQZLTMJECA-UHFFFAOYSA-N, 2-Amino-3-nitro benzoic acid methyl ester, 2-Amino-3-nitrobenzoic acid, methyl ester, Methyl2-amino-3-nitrobenzoate, PubChem4981, AC1LCV5C, ACMC-1AYQ8, AC1Q42GX, KSC495S0P, methyl 2-amino3-nitrobenzoate, SCHEMBL308242, methyl-2-amino-3-nitrobenzoate, RARECHEM AH CK 0023, CTK3J5907, methyl 2-amino-3-nitro-benzoate, DTXSID30345810, Methyl-2-amino-3-nitro-benzoate, Methyl 2-amino-3-nitrobenzoate #, ACN-S002954, ACT07391, ZINC4240518, 3-Nitroanthranilic Acid Methyl Ester, AN-670, ANW-32641, CA0052, CL8520, CM-835, MFCD02093531, SBB064461, AKOS005259779, AC-3891, AM84128, AS01783, EBD1615961, LS11483, PS-6035, RP25424, RTC-062618, TRA0006088, KS-000000G2, AJ-49283, AK-35689, BP-13141, CJ-11643, SC-05424, SY005880, AB0030627, AB1008311, TC-062618, 4CH-021612, C3295, CS-0007684, FT-0655451, M2158, ST24047668, X2836, EN300-66471, L-1287, MFCD02093531 (97+%), 113A914, 116393-EP2281819A1, 116393-EP2298770A1, AE-562/43460020, 2-Amino-3-nitrobenzoic acid methylester, AldrichCPR, I01-4895, W-203152, 2-Amino-3-nitrobenzoic acid methyl ester; Methyl 3-nitroanthranilate, C8H8N2O4, CID607264, ZINC04240518, ACN-001941, A8152, 2-Amino-3-nitro-benzoic acid methyl ester, 98% - 10G 10g,

Complexity	238
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.048g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	196.162g/mol
Monoisotopic Mass	196.048g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	98.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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