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Home > Nitro Compounds > 1261964-85-5
1261964-85-5 | Benzoic acid, 3-(1-naphthalenyl)-5-nitro-
CAS No: 1261964-85-5 Catalog No: AG000S9A MDL No:MFCD18321576
Product Description
Catalog Number:
AG000S9A
Chemical Name:
Benzoic acid, 3-(1-naphthalenyl)-5-nitro-
CAS Number:
1261964-85-5
Molecular Formula:
C17H11NO4
Molecular Weight:
293.2735
MDL Number:
MFCD18321576
IUPAC Name:
3-naphthalen-1-yl-5-nitrobenzoic acid
InChI:
InChI=1S/C17H11NO4/c19-17(20)13-8-12(9-14(10-13)18(21)22)16-7-3-5-11-4-1-2-6-15(11)16/h1-10H,(H,19,20)
InChI Key:
FRPXBPYOTQZIDD-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cc(c1)c1cccc2c1cccc2)[N+](=O)[O-]
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.069g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.278g/mol
Monoisotopic Mass:
293.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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