AG00HAAC

104126-70-7 | Benzeneacetic acid, 4-amino-3-nitro-, ethyl ester

AG00HAAC

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CAS Number	104126-70-7
Catalog Number	AG00HAAC(AGN-PC-043D51)
Chemical Name	Benzeneacetic acid, 4-amino-3-nitro-, ethyl ester
IUPAC Name	ethyl 2-(4-amino-3-nitrophenyl)acetate
InChI	InChI=1S/C10H12N2O4/c1-2-16-10(13)6-7-3-4-8(11)9(5-7)12(14)15/h3-5H,2,6,11H2,1H3
InChI Key	WQXMYFFEVKIQHU-UHFFFAOYSA-N
MDL Number	MFCD16620936
Molecular Formula	C10H12N2O4
Molecular Weight	224.2133
SMILES	O=C(OCC)CC1=CC=C(N)C([N+]([O-])=O)=C1
Synonyms	ETHYL 2-(4-AMINO-3-NITROPHENYL)ACETATE, 104126-70-7, ethyl (4-amino-3-nitrophenyl)acetate, SCHEMBL392679, SCHEMBL14684937, DTXSID10634274, WQXMYFFEVKIQHU-UHFFFAOYSA-N, MFCD16620936, ZINC95643165, AS-41602, 2-(4-amino-3-nitrophenyl)acetic acid ethyl ester, Benzeneacetic acid, 4-amino-3-nitro-, ethyl ester,

Complexity	264
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.08g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	224.216g/mol
Monoisotopic Mass	224.08g/mol
Rotatable Bond Count	4
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
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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