AG00E98T

6125-24-2 | 1-(PHENYL) 2-NITROETHANE

AG00E98T

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CAS Number	6125-24-2
Catalog Number	AG00E98T(AGN-PC-0JLSIB)
Chemical Name	1-(PHENYL) 2-NITROETHANE
EC Number	228-094-0
IUPAC Name	2-nitroethylbenzene
InChI	InChI=1S/C8H9NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key	XAWCLWKTUKMCMO-UHFFFAOYSA-N
MDL Number	MFCD00210449
Molecular Formula	C8H9NO2
Molecular Weight	151.1626
NSC Number	23854
SMILES	C(CN(=O)=O)c1ccccc1
Synonyms	1-nitro-2-phenylethane, (2-Nitroethyl)benzene, 6125-24-2, Benzene, (2-nitroethyl)-, 1-Nitro-2-phenylethane, 2-Nitroethylbenzene, 1-(PHENYL) 2-NITROETHANE, 1-(2-nitroethyl)benzene, Benzene,(2-nitroethyl)-, XAWCLWKTUKMCMO-UHFFFAOYSA-N, 2-phenylnitroethane, NSC23854, EINECS 228-094-0, NSC 23854, 2-nitro-ethyl-benzene, 1-phenyl-2-nitroethane, AC1L2YZD, SCHEMBL264237, AC1Q21U0, CTK5B2936, KS-00000LUN, DTXSID30210155, ZINC1608651, MFCD00210449, NSC-23854, AKOS006240249, CS-W021067, MP-1612, VZ25069, AJ-28180, AS-33131, CJ-05742, CJ-25958, SC-68717, Benzene, (2-nitroethyl)- (8CI)(9CI), AB0038926, ST2414204, 4CH-014357, FT-0080884, FT-0650568, Y6324, Phenylnitroethane, C8H9NO2, C8-H9-N-O2, KST-1A6683, CID80208, AR-1A2536, RW1542, 6272-21-5,

Complexity	125
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	151.063g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	151.165g/mol
Monoisotopic Mass	151.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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