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1013-04-3 | 1-Naphthalenecarboxylic acid, 4-chloro-
CAS No: 1013-04-3 Catalog No: AG000468 MDL No:MFCD18252916
Product Description
Catalog Number:
AG000468
Chemical Name:
1-Naphthalenecarboxylic acid, 4-chloro-
CAS Number:
1013-04-3
Molecular Formula:
C11H7ClO2
Molecular Weight:
206.6251
MDL Number:
MFCD18252916
IUPAC Name:
4-chloronaphthalene-1-carboxylic acid
InChI:
InChI=1S/C11H7ClO2/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H,(H,13,14)
InChI Key:
SHCCGXNIGGRSMX-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c2c1cccc2)Cl
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.013g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.625g/mol
Monoisotopic Mass:
206.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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