AG003ENJ

19370-34-4 | 1-(sec-Butyl)-2-nitrobenzene

AG003ENJ

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CAS Number	19370-34-4
Catalog Number	AG003ENJ(AGN-PC-0QMAT6)
Chemical Name	1-(sec-Butyl)-2-nitrobenzene
EC Number	242-998-2
IUPAC Name	1-butan-2-yl-2-nitrobenzene
InChI	InChI=1S/C10H13NO2/c1-3-8(2)9-6-4-5-7-10(9)11(12)13/h4-8H,3H2,1-2H3
InChI Key	GMQQDASXGTUDPJ-UHFFFAOYSA-N
MDL Number	MFCD00130029
Molecular Formula	C10H13NO2
Molecular Weight	179.2157
SMILES	CCC(C)c1ccccc1[N+]([O-])=O
Synonyms	1-sec-Butyl-2-nitrobenzene, 19370-34-4, 1-(sec-Butyl)-2-nitrobenzene, 1-butan-2-yl-2-nitrobenzene, EINECS 242-998-2, Benzene,1-(1-methylpropyl)-2-nitro-, ACMC-1BGFQ, AC1L3CGN, AC1Q203A, SCHEMBL6680488, CTK4E1332, GMQQDASXGTUDPJ-UHFFFAOYSA-, 1-(butan-2-yl)-2-nitrobenzene, KS-000014OZ, 1-(1-Methylpropyl)-2-nitrobenzene, ANW-23610, MFCD00130029, FCH1122128, ACM19370344, AX8060444, TC-112355, B2427, FT-0766538, InChI=1/C10H13NO2/c1-3-8(2)9-6-4-5-7-10(9)11(12)13/h4-8H,3H2,1-2H3, sec-Butylnitrobenzene, CID86858, AR-1L4092, C10-H13-N-O2, 6942-75-2,

Complexity	176
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.095g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	179.219g/mol
Monoisotopic Mass	179.095g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.9

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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