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Home > Nitro Compounds > 865887-81-6
865887-81-6 | Methanone, (methylnitrophenyl)phenyl-
CAS No: 865887-81-6 Catalog No: AG004LBU MDL No:
Product Description
Catalog Number:
AG004LBU
Chemical Name:
Methanone, (methylnitrophenyl)phenyl-
CAS Number:
865887-81-6
Molecular Formula:
C14H11NO3
Molecular Weight:
241.2420
IUPAC Name:
(3-methyl-2-nitrophenyl)-phenylmethanone
InChI:
InChI=1S/C14H11NO3/c1-10-6-5-9-12(13(10)15(17)18)14(16)11-7-3-2-4-8-11/h2-9H,1H3
InChI Key:
FEHVVTLOLHDZDF-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1[N+](=O)[O-])C)c1ccccc1
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.246g/mol
Monoisotopic Mass:
241.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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