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7515-72-2 | Benzene, 1-(chlorophenylmethyl)-4-nitro-
CAS No: 7515-72-2 Catalog No: AG005E2S MDL No:
Product Description
Catalog Number:
AG005E2S
Chemical Name:
Benzene, 1-(chlorophenylmethyl)-4-nitro-
CAS Number:
7515-72-2
Molecular Formula:
C13H10ClNO2
Molecular Weight:
247.6770
IUPAC Name:
1-[chloro(phenyl)methyl]-4-nitrobenzene
InChI:
InChI=1S/C13H10ClNO2/c14-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)15(16)17/h1-9,13H
InChI Key:
LYKVCCHDBARSHV-UHFFFAOYSA-N
SMILES:
ClC(c1ccccc1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.04g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.678g/mol
Monoisotopic Mass:
247.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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