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Home > Nitro Compounds > 65253-41-0
65253-41-0 | 4-(2-NITRO-1,1,2-TRIMETHYLPROPYL)BENZOPHENONE
CAS No: 65253-41-0 Catalog No: AG00H66J MDL No:
Product Description
Catalog Number:
AG00H66J
Chemical Name:
4-(2-NITRO-1,1,2-TRIMETHYLPROPYL)BENZOPHENONE
CAS Number:
65253-41-0
Molecular Formula:
C19H21NO3
Molecular Weight:
311.3749
IUPAC Name:
[4-(2,3-dimethyl-3-nitrobutan-2-yl)phenyl]-phenylmethanone
InChI:
InChI=1S/C19H21NO3/c1-18(2,19(3,4)20(22)23)16-12-10-15(11-13-16)17(21)14-8-6-5-7-9-14/h5-13H,1-4H3
InChI Key:
SJLJPZOVZYFZIG-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)c1ccc(cc1)C(C([N+](=O)[O-])(C)C)(C)C
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.152g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.381g/mol
Monoisotopic Mass:
311.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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