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13772-61-7 | 2-Naphthalenecarboxylic acid, 4-fluoro-
CAS No: 13772-61-7 Catalog No: AG0013RG MDL No:MFCD18412318
Product Description
Catalog Number:
AG0013RG
Chemical Name:
2-Naphthalenecarboxylic acid, 4-fluoro-
CAS Number:
13772-61-7
Molecular Formula:
C11H7FO2
Molecular Weight:
190.1705
MDL Number:
MFCD18412318
IUPAC Name:
4-fluoronaphthalene-2-carboxylic acid
InChI:
InChI=1S/C11H7FO2/c12-10-6-8(11(13)14)5-7-3-1-2-4-9(7)10/h1-6H,(H,13,14)
InChI Key:
OHUWXPXKWRJJFR-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)c2c(c1)cccc2
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.173g/mol
Monoisotopic Mass:
190.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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