AG0034WP

99-77-4 | Ethyl 4-nitrobenzoate

AG0034WP

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CAS Number	99-77-4
Catalog Number	AG0034WP(AGN-PC-0JK83I)
Chemical Name	Ethyl 4-nitrobenzoate
EC Number	202-786-2
IUPAC Name	ethyl 4-nitrobenzoate
InChI	InChI=1S/C9H9NO4/c1-2-14-9(11)7-3-5-8(6-4-7)10(12)13/h3-6H,2H2,1H3
InChI Key	PHWSCBWNPZDYRI-UHFFFAOYSA-N
MDL Number	MFCD00007351
Molecular Formula	C9H9NO4
Molecular Weight	195.1721
NSC Number	6763
SMILES	[N+](=O)([O-])C1=CC=C(C(=O)OCC)C=C1
UNII	1OCH6Y8NAR
Synonyms	Ethyl 4-nitrobenzoate, Ethyl p-nitrobenzoate, 99-77-4, Benzoic acid, 4-nitro-, ethyl ester, 4-Nitrobenzoic acid ethyl ester, Ethyl nitrobenzoate, para ester, p-Nitrobenzoic acid, ethyl ester, 4-(Ethoxycarbonyl)nitrobenzene, Benzoic acid, p-nitro-, ethyl ester, UNII-1OCH6Y8NAR, NSC 6763, ETHYL-P-NITROBENZOATE, Ethyl para-nitrobenzoate, EINECS 202-786-2, MFCD00007351, 1OCH6Y8NAR, BRN 1912879, AI3-08652, PHWSCBWNPZDYRI-UHFFFAOYSA-N, 4-09-00-01074 (Beilstein Handbook Reference), Ethyl 4-nitrobenzoate, 99%, Ethylp-nitrobenzoate, Benzocaine Impurity, p-NITROBENZOIC ACID ETHYL ESTER, rarechem al bi 0193, AC1L1OSY, AC1Q5ARZ, WLN: WNR DVO2, ACMC-209se2, p-nitro-benzoicaciethylester, 4-nitro-benzoicaciethylester, AC1Q33ZP, KSC487A9R, ARONIS24033, SCHEMBL1500579, CHEMBL2260715, DTXSID1052666, CTK3I7098, 4-nitro-benzoic acid ethyl ester, NSC6763, KS-00000G7C, KS-000046HH, NSC-6763, ZINC1512541, ANW-41064, BBL035699, SBB058453, STK397383, AKOS000313784, MCULE-1380579390, NE45868, RP25362, RTR-030484, TRA0048392, AJ-26489, AK-45290, AS-10873, CJ-23793, LS-38017, Ethyl 4-nitrobenzoate, >=98.0% (GC), DB-057801, TR-030484, FT-0618419, FT-0631523, N0485, ST24030622, ST45053218, (4-bromo-3,5-dimethyl-pyrazol-1-yl)methanol, EN300-16124, I01-5095, I01-9722, W-100020, Z53834185, F0001-2339, Ethyl 4-nitrobenzoate, United States Pharmacopeia (USP) Reference Standard, InChI=1/C9H9NO4/c1-2-14-9(11)7-3-5-8(6-4-7)10(12)13/h3-6H,2H2,1H, ethyl-4-nitrobenzoat, ethyl-4-nitrobenzoate, Benzoic acid, ethyl ester, SODIUM HYPOPHOSPHITE, C9H9NO4, CID7457, C9-H9-N-O4, AR-1I9287, Ethyl 4-nitrobenzoate, 98% 100g, Ethyl 4-nitrobenzoate, 99% - 100G 100g, 100-12-9, 6630-07-5, 7681-53-0,

Complexity	215
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	2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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