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Home > Nitro Compounds > 7137-55-5
7137-55-5 | 1-Butyl-2-nitrobenzene
CAS No: 7137-55-5 Catalog No: AG003E65 MDL No:
Product Description
Catalog Number:
AG003E65
Chemical Name:
1-Butyl-2-nitrobenzene
CAS Number:
7137-55-5
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
IUPAC Name:
1-butyl-2-nitrobenzene
InChI:
InChI=1S/C10H13NO2/c1-2-3-6-9-7-4-5-8-10(9)11(12)13/h4-5,7-8H,2-3,6H2,1H3
InChI Key:
RSVIEXUVWMYRGB-UHFFFAOYSA-N
SMILES:
CCCCc1ccccc1[N+](=O)[O-]
EC Number:
230-435-3
Properties
Complexity:
165
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:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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