AG004RJJ

84228-46-6 | Ethyl 4-amino-2-nitrobenzoate

AG004RJJ

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CAS Number	84228-46-6
Catalog Number	AG004RJJ(AGN-PC-03VBS9)
Chemical Name	Ethyl 4-amino-2-nitrobenzoate
IUPAC Name	ethyl 4-amino-2-nitrobenzoate
InChI	InChI=1S/C9H10N2O4/c1-2-15-9(12)7-4-3-6(10)5-8(7)11(13)14/h3-5H,2,10H2,1H3
InChI Key	YOMQIQZTFBDFSR-UHFFFAOYSA-N
MDL Number	MFCD06656140
Molecular Formula	C9H10N2O4
Molecular Weight	210.1867
SMILES	O=C(OCC)C1=CC=C(N)C=C1[N+]([O-])=O
Synonyms	Ethyl 4-amino-2-nitrobenzoate, 84228-46-6, 4-Amino-2-nitrobenzoic acid ethyl ester, 4-AMINO-2-NITRO-BENZOIC ACID ETHYL ESTER, Benzoic acid, 4-amino-2-nitro-, ethyl ester, SCHEMBL8771665, CTK5F2048, ethyl 4-azanyl-2-nitro-benzoate, DTXSID30628574, YOMQIQZTFBDFSR-UHFFFAOYSA-N, ANW-46206, CL8513, MFCD06656140, ZINC14982114, AKOS015998782, 2-Nitro-4-aminobenzoic acid ethyl ester, AJ-65582, AK-86513, DS-18192, SC-22116, AB0026939, AX8093728, DB-000704, ST2406948, TC-134951, Benzoic acid,4-amino-2-nitro-, ethyl ester, FT-0715606, W8695, 228A466, A840745, C9H10N2O4, 4-AMINO-2-NITRO-BENZOICACIDETHYLESTER,

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	1.5

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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