AG003NMP

619-90-9 | 4-Nitrobenzyl Acetate

AG003NMP

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CAS Number	619-90-9
Catalog Number	AG003NMP(AGN-PC-0T2FOF)
Chemical Name	4-Nitrobenzyl Acetate
EC Number	210-618-4
IUPAC Name	(4-nitrophenyl)methyl acetate
InChI	InChI=1S/C9H9NO4/c1-7(11)14-6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3
InChI Key	QNXQLPUEZYZYFC-UHFFFAOYSA-N
MDL Number	MFCD00024781
Molecular Formula	C9H9NO4
Molecular Weight	195.1721
NSC Number	403575
SMILES	CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]
Synonyms	4-Nitrobenzyl acetate, 619-90-9, p-Nitrobenzyl acetate, ACETIC ACID 4-NITROBENZYL, Benzenemethanol, 4-nitro-, acetate (ester), Acetic acid, p-nitrobenzyl ester, p-Nitrobenzylacetate, Acetic Acid 4-Nitrobenzyl Ester, Benzyl alcohol, p-nitro-, acetate, (4-nitrophenyl)methyl acetate, 4-Nitro-benzenemethanol acetate, CCRIS 7962, Benzyl alcohol, p-nitro-, acetate(ester), EINECS 210-618-4, Benzenemethanol, 4-nitro-, 1-acetate, NSC 403575, AI3-08860, Acetic acid 4-nitro-benzyl ester, QNXQLPUEZYZYFC-UHFFFAOYSA-N, BENZYL ALCOHOL, p-NITRO-, ACETATE (ester), 4-nitrobenzylacetate, (4-nitrobenzyl) acetate, ACMC-1AZ6X, AC1L1YU0, acetic acid, nitrobenzyl ester, Benzyl alcohol, acetate(ester), CHEMBL152956, SCHEMBL4567587, (4-nitrophenyl)methyl ethanoate, Acetic acid,4-nitrobenzyl ester, DTXSID6060711, Benzenemethanol, acetate (ester), CTK5B4133, ZINC347490, Benzenemethanol, 4-nitro-, acetate, KS-000015OF, ANW-34027, Benzenemethanol,4-nitro-, 1-acetate, MFCD00024781, NSC403575, AKOS015917424, MCULE-7509921863, NSC-403575, VZ31182, acetic acid (4-nitrophenyl)methyl ester, AJ-20061, AS-30971, BAS 00116752, LS-43120, ZB011038, ST2418512, TC-122772, TL8004010, A0039, FT-0602385, X5333, A833522, S01-0381, Benzyl alcohol, acetate, C9H9NO4, Benzene Diazonium Nitrate (dry), C9-H9-N-O4, ACETICACID4-NITROBENZYLESTER, CID12094,

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	1.7

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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