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89475-13-8 | 1-Naphthalenol, 4-chloro-5,8-dimethoxy-6-methyl-
CAS No: 89475-13-8 Catalog No: AG0043D3 MDL No:
Product Description
Catalog Number:
AG0043D3
Chemical Name:
1-Naphthalenol, 4-chloro-5,8-dimethoxy-6-methyl-
CAS Number:
89475-13-8
Molecular Formula:
C13H13ClO3
Molecular Weight:
252.6935
IUPAC Name:
4-chloro-5,8-dimethoxy-6-methylnaphthalen-1-ol
InChI:
InChI=1S/C13H13ClO3/c1-7-6-10(16-2)12-9(15)5-4-8(14)11(12)13(7)17-3/h4-6,15H,1-3H3
InChI Key:
ZJSWUMYLLKIAFJ-UHFFFAOYSA-N
SMILES:
COc1cc(C)c(c2c1c(O)ccc2Cl)OC
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.055g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.694g/mol
Monoisotopic Mass:
252.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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