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Home > Nitro Compounds > 70936-87-7

70936-87-7

70936-87-7 | 2-Naphthalenecarboxamide, 3-hydroxy-N-(nitrophenyl)-

CAS No: 70936-87-7 Catalog No: AG005Q47 MDL No:

Product Description

Catalog Number:
AG005Q47
Chemical Name:
2-Naphthalenecarboxamide, 3-hydroxy-N-(nitrophenyl)-
CAS Number:
70936-87-7
Molecular Formula:
C17H12N2O4
Molecular Weight:
308.2882
IUPAC Name:
3-hydroxy-N-(2-nitrophenyl)naphthalene-2-carboxamide
InChI:
InChI=1S/C17H12N2O4/c20-16-10-12-6-2-1-5-11(12)9-13(16)17(21)18-14-7-3-4-8-15(14)19(22)23/h1-10,20H,(H,18,21)
InChI Key:
VNNUHDFHFJJCTC-UHFFFAOYSA-N
SMILES:
O=C(c1cc2ccccc2cc1O)Nc1ccccc1[N+](=O)[O-]

Properties

Complexity:
450  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.08g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
308.293g/mol
Monoisotopic Mass:
308.08g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  

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