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102632-27-9 | 1,4-Naphthalenediol, 6-chloro-2,3-dimethoxy-
CAS No: 102632-27-9 Catalog No: AG000801 MDL No:
Product Description
Catalog Number:
AG000801
Chemical Name:
1,4-Naphthalenediol, 6-chloro-2,3-dimethoxy-
CAS Number:
102632-27-9
Molecular Formula:
C12H11ClO4
Molecular Weight:
254.6663
IUPAC Name:
6-chloro-2,3-dimethoxynaphthalene-1,4-diol
InChI:
InChI=1S/C12H11ClO4/c1-16-11-9(14)7-4-3-6(13)5-8(7)10(15)12(11)17-2/h3-5,14-15H,1-2H3
InChI Key:
AAVFVGQUNPZTKP-UHFFFAOYSA-N
SMILES:
COc1c(O)c2cc(Cl)ccc2c(c1OC)O
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.035g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.666g/mol
Monoisotopic Mass:
254.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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