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Home > Nitro Compounds > 131822-45-2
131822-45-2 | Methanone, (3-methylphenyl)(4-nitrophenyl)-
CAS No: 131822-45-2 Catalog No: AG000ZRW MDL No:
Product Description
Catalog Number:
AG000ZRW
Chemical Name:
Methanone, (3-methylphenyl)(4-nitrophenyl)-
CAS Number:
131822-45-2
Molecular Formula:
C14H11NO3
Molecular Weight:
241.2420
IUPAC Name:
(3-methylphenyl)-(4-nitrophenyl)methanone
InChI:
InChI=1S/C14H11NO3/c1-10-3-2-4-12(9-10)14(16)11-5-7-13(8-6-11)15(17)18/h2-9H,1H3
InChI Key:
WVPBWWIRYOFSSG-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)C(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
316
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:
3.8
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