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Home > Nitro Compounds > 68459-81-4
68459-81-4 | 1-sec-butyl-3-nitrobenzene
CAS No: 68459-81-4 Catalog No: AG00G09J MDL No:
Product Description
Catalog Number:
AG00G09J
Chemical Name:
1-sec-butyl-3-nitrobenzene
CAS Number:
68459-81-4
IUPAC Name:
1-butan-2-yl-3-nitrobenzene
InChI:
InChI=1S/C10H13NO2/c1-3-8(2)9-5-4-6-10(7-9)11(12)13/h4-8H,3H2,1-2H3
InChI Key:
XOLORNDFLIOCMW-UHFFFAOYSA-N
Properties
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:
3.7
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