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Home > Nitro Compounds > 3042-62-4
3042-62-4 | Naphthalene, 2-[(4-nitrophenyl)methyl]-
CAS No: 3042-62-4 Catalog No: AG00302T MDL No:
Product Description
Catalog Number:
AG00302T
Chemical Name:
Naphthalene, 2-[(4-nitrophenyl)methyl]-
CAS Number:
3042-62-4
Molecular Formula:
C17H13NO2
Molecular Weight:
263.2906
IUPAC Name:
2-[(4-nitrophenyl)methyl]naphthalene
InChI:
InChI=1S/C17H13NO2/c19-18(20)17-9-6-13(7-10-17)11-14-5-8-15-3-1-2-4-16(15)12-14/h1-10,12H,11H2
InChI Key:
SJCFBVMMGBGDIP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)Cc1ccc2c(c1)cccc2
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.296g/mol
Monoisotopic Mass:
263.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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