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Home > Nitro Compounds > 7404-82-2
7404-82-2 | 4-nitro-1,7-diphenyl-heptane-1,7-dione
CAS No: 7404-82-2 Catalog No: AG005I41 MDL No:
Product Description
Catalog Number:
AG005I41
Chemical Name:
4-nitro-1,7-diphenyl-heptane-1,7-dione
CAS Number:
7404-82-2
Molecular Formula:
C19H19NO4
Molecular Weight:
325.3585
IUPAC Name:
4-nitro-1,7-diphenylheptane-1,7-dione
InChI:
InChI=1S/C19H19NO4/c21-18(15-7-3-1-4-8-15)13-11-17(20(23)24)12-14-19(22)16-9-5-2-6-10-16/h1-10,17H,11-14H2
InChI Key:
BZBXIPQOTHSYJX-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CCC([N+](=O)[O-])CCC(=O)c1ccccc1
NSC Number:
403131
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.131g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.364g/mol
Monoisotopic Mass:
325.131g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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