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Home > Nitro Compounds > 119880-63-6
119880-63-6 | Benzene, [(1R)-1-(nitromethyl)propyl]-
CAS No: 119880-63-6 Catalog No: AG000PTK MDL No:
Product Description
Catalog Number:
AG000PTK
Chemical Name:
Benzene, [(1R)-1-(nitromethyl)propyl]-
CAS Number:
119880-63-6
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
IUPAC Name:
[(2R)-1-nitrobutan-2-yl]benzene
InChI:
InChI=1S/C10H13NO2/c1-2-9(8-11(12)13)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3/t9-/m0/s1
InChI Key:
DAAVBVQRJJEIOT-VIFPVBQESA-N
SMILES:
CC[C@H](c1ccccc1)C[N+](=O)[O-]
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
2.7
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