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Home > Nitro Compounds > 167422-88-0
167422-88-0 | Benzene, [(1S)-1-methyl-1-(nitromethyl)propyl]-
CAS No: 167422-88-0 Catalog No: AG001XE0 MDL No:
Product Description
Catalog Number:
AG001XE0
Chemical Name:
Benzene, [(1S)-1-methyl-1-(nitromethyl)propyl]-
CAS Number:
167422-88-0
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
IUPAC Name:
[(2S)-2-methyl-1-nitrobutan-2-yl]benzene
InChI:
InChI=1S/C11H15NO2/c1-3-11(2,9-12(13)14)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3/t11-/m1/s1
InChI Key:
WEMRASLBHPPURT-LLVKDONJSA-N
SMILES:
CC[C@@](c1ccccc1)(C[N+](=O)[O-])C
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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