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919994-88-0 | 2-Naphthalenecarboxylic acid, 3-chloro-5-cyano-, ethyl ester
CAS No: 919994-88-0 Catalog No: AG006GBO MDL No:
Product Description
Catalog Number:
AG006GBO
Chemical Name:
2-Naphthalenecarboxylic acid, 3-chloro-5-cyano-, ethyl ester
CAS Number:
919994-88-0
Molecular Formula:
C14H10ClNO2
Molecular Weight:
259.6877
IUPAC Name:
ethyl 3-chloro-5-cyanonaphthalene-2-carboxylate
InChI:
InChI=1S/C14H10ClNO2/c1-2-18-14(17)12-6-9-4-3-5-10(8-16)11(9)7-13(12)15/h3-7H,2H2,1H3
InChI Key:
ZYPVJDNIRNIIEC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2cccc(c2cc1Cl)C#N
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.04g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.689g/mol
Monoisotopic Mass:
259.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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