AG002329

1817-77-2 | Benzene, 1-nitro-4-(phenylmethyl)-

AG002329

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CAS Number	1817-77-2
Catalog Number	AG002329(AGN-PC-0JMPCG)
Chemical Name	Benzene, 1-nitro-4-(phenylmethyl)-
IUPAC Name	1-benzyl-4-nitrobenzene
InChI	InChI=1S/C13H11NO2/c15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2
InChI Key	IDSGFSCSMXRJON-UHFFFAOYSA-N
MDL Number	MFCD00024783
Molecular Formula	C13H11NO2
Molecular Weight	213.2319
SMILES	O=[N+](C1=CC=C(CC2=CC=CC=C2)C=C1)[O-]
Synonyms	4-Nitrodiphenylmethane, 1-Benzyl-4-nitrobenzene, 1817-77-2, Benzene, 1-nitro-4-(phenylmethyl)-, p-Nitrodiphenylmethane, Methane, (p-nitrophenyl)phenyl-, 1-benzyl-4-nitro-benzene, (p-Nitrophenyl)phenylmethane, IDSGFSCSMXRJON-UHFFFAOYSA-N, NSC631623, NSC97261, 4-benzyl-nitrobenzene, 1-Benzyl-4-nitrobenzene #, 4-Nitrodiphenylmethane, 97%, SCHEMBL267666, AC1L3A66, DTXSID10171179, ZINC1627275, MFCD00024783, NSC-97261, (4-Benzylphenyl)(hydroxy)azane oxide, AKOS015889061, NSC-631623, CJ-26236, FT-0633856, N0564, KS-00001237, J-011629, I01-17103, InChI=1/C13H11NO2/c15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H, CID137225,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.079g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	213.236g/mol
Monoisotopic Mass	213.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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