AG003ENK

4237-40-5 | 1-(sec-Butyl)-4-nitrobenzene

AG003ENK

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CAS Number	4237-40-5
Catalog Number	AG003ENK(AGN-PC-0WCZE9)
Chemical Name	1-(sec-Butyl)-4-nitrobenzene
EC Number	224-196-4
IUPAC Name	1-butan-2-yl-4-nitrobenzene
InChI	InChI=1S/C10H13NO2/c1-3-8(2)9-4-6-10(7-5-9)11(12)13/h4-8H,3H2,1-2H3
InChI Key	IQRMCUYGEZOTSV-UHFFFAOYSA-N
MDL Number	MFCD00130025
Molecular Formula	C10H13NO2
Molecular Weight	179.2157
SMILES	O=[N+](C1=CC=C(C(C)CC)C=C1)[O-]
Synonyms	1-sec-Butyl-4-nitrobenzene, 4237-40-5, 1-(sec-Butyl)-4-nitrobenzene, 4-sec-Butylnitrobenzene, 1-butan-2-yl-4-nitrobenzene, Benzene, 1-(1-methylpropyl)-4-nitro-, 1-(butan-2-yl)-4-nitrobenzene, MFCD00130025, 4-Nitro-sec-butylbenzene, EINECS 224-196-4, ACMC-1CUEB, AC1L31RT, AC1Q1Z5N, SCHEMBL173199, CTK4I6116, IQRMCUYGEZOTSV-UHFFFAOYSA-, KS-000017JR, 1-(1-Methylpropyl)-4-nitrobenzene, ANW-29802, ACM4237405, AS05668, CM12121, FCH1122126, AX8060445, TC-118547, B2428, FT-0691172, I14-102272, InChI=1/C10H13NO2/c1-3-8(2)9-4-6-10(7-5-9)11(12)13/h4-8H,3H2,1-2H3, C10H13NO2, AR-1C5612, C10-H13-N-O2, CID107249, 4584-57-0,

Complexity	168
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	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precuationary statements	P280-P305+P351+P338
Siginal words

Certificate of Analysis

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