Home Carboxys 1-Naphthalenecarboxylic acid, 4-nitro-

1-Naphthalenecarboxylic acid, 4-nitro-

CAS No.:
1975-43-5
Catalog Number:
AG00I3LT
Molecular Formula:
C11H7NO4
Molecular Weight:
217.1776
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Product Description
Catalog Number:
AG00I3LT
Chemical Name:
1-Naphthalenecarboxylic acid, 4-nitro-
CAS Number:
1975-43-5
Molecular Formula:
C11H7NO4
Molecular Weight:
217.1776
MDL Number:
MFCD00029356
IUPAC Name:
4-nitronaphthalene-1-carboxylic acid
InChI:
InChI=1S/C11H7NO4/c13-11(14)9-5-6-10(12(15)16)8-4-2-1-3-7(8)9/h1-6H,(H,13,14)
InChI Key:
BQBFFSOHVNNCSP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c2c1cccc2)[N+](=O)[O-]
Properties
Complexity:
299  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.038g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.18g/mol
Monoisotopic Mass:
217.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties