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919994-94-8

919994-94-8 | 2-Naphthalenecarboxylic acid, 3-chloro-5-methoxy-, ethyl ester

CAS No: 919994-94-8 Catalog No: AG006GBM MDL No:

Product Description

Catalog Number:
AG006GBM
Chemical Name:
2-Naphthalenecarboxylic acid, 3-chloro-5-methoxy-, ethyl ester
CAS Number:
919994-94-8
Molecular Formula:
C14H13ClO3
Molecular Weight:
264.7042
IUPAC Name:
ethyl 3-chloro-5-methoxynaphthalene-2-carboxylate
InChI:
InChI=1S/C14H13ClO3/c1-3-18-14(16)11-7-9-5-4-6-13(17-2)10(9)8-12(11)15/h4-8H,3H2,1-2H3
InChI Key:
OADVQOADESQXDZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2cccc(c2cc1Cl)OC

Properties

Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.055g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.705g/mol
Monoisotopic Mass:
264.055g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  

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