AG003Q50

610-34-4 | Ethyl 2-nitrobenzoate

AG003Q50

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CAS Number	610-34-4
Catalog Number	AG003Q50(AGN-PC-0WAJLU)
Chemical Name	Ethyl 2-nitrobenzoate
EC Number	210-220-0
IUPAC Name	ethyl 2-nitrobenzoate
InChI	InChI=1S/C9H9NO4/c1-2-14-9(11)7-5-3-4-6-8(7)10(12)13/h3-6H,2H2,1H3
InChI Key	CPNMAYYYYSWTIV-UHFFFAOYSA-N
MDL Number	MFCD00014696
Molecular Formula	C9H9NO4
Molecular Weight	195.1721
NSC Number	4685
SMILES	O=C(OCC)C1=CC=CC=C1[N+]([O-])=O
Synonyms	Ethyl 2-nitrobenzoate, 610-34-4, Ethyl o-nitrobenzoate, ethyl nitrobenzoate, Benzoic acid, o-nitro-, ethyl ester, Benzoic acid, 2-nitro-, ethyl ester, AI3-04245, CPNMAYYYYSWTIV-UHFFFAOYSA-N, MFCD00014696, 54605-16-2, EINECS 210-220-0, Nitrobenzoesaureathylester, AC1Q5AUZ, ACMC-1AUL6, AC1Q32WZ, AC1L2B64, SCHEMBL1523174, 2-Nitrobenzoic acid ethyl ester, CTK1G7870, 2-Nitro-benzoic acid ethyl ester, DTXSID60209855, NSC4685, ZINC157345, NSC-4685, 8182AF, SBB058472, AKOS002723460, MCULE-8877877433, VZ32064, SY247981, ZB006657, DB-053774, TC-166915, FT-0625974, ST50407094, MFCD00014696 (97%), I14-102778, ethylnitrobenzoate, Benzoic acid, ethyl ester, ETHYL2-NITROBENZOATE, C9H9NO4, C9-H9-N-O4, CID69123, AR-1I9968, 6267-66-9,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.053g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	195.174g/mol
Monoisotopic Mass	195.053g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
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Certificate of Analysis

Lot Number