AG00AM6F

193014-01-6 | Benzoic acid, 3-amino-2-nitro-, ethyl ester (9CI)

AG00AM6F

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CAS Number	193014-01-6
Catalog Number	AG00AM6F(AGN-PC-01U7V3)
Chemical Name	Benzoic acid, 3-amino-2-nitro-, ethyl ester (9CI)
IUPAC Name	ethyl 3-amino-2-nitrobenzoate
InChI	InChI=1S/C9H10N2O4/c1-2-15-9(12)6-4-3-5-7(10)8(6)11(13)14/h3-5H,2,10H2,1H3
InChI Key	IJNYIIHVEXLJGI-UHFFFAOYSA-N
MDL Number	MFCD12911920
Molecular Formula	C9H10N2O4
Molecular Weight	210.1867
SMILES	O=C(OCC)C1=CC=CC(N)=C1[N+]([O-])=O
Synonyms	ethyl 3-amino-2-nitrobenzoate, 193014-01-6, AK-67846, Benzoic acid, 3-amino-2-nitro-, ethyl ester (9CI), SCHEMBL3789796, CTK8B5104, KS-00000ODU, DTXSID40592737, IJNYIIHVEXLJGI-UHFFFAOYSA-N, ANW-47590, MFCD12911920, ZINC39084147, AKOS015919653, CM12433, CS-W022668, RP26553, AJ-98098, AS-18190, BR-67846, CJ-19724, EN001903, AX8208791, DB-065805, TC-136335, 4CH-010098, FT-0703730, ST24030552, W4131, Benzoic acid, 3-amino-2-nitro-, ethyl ester, S-4706, J-520840, C9H10N2O4,

Complexity	251
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.064g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	210.189g/mol
Monoisotopic Mass	210.064g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	98.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number