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89131-27-1 | 1,4-Naphthalenedione, 2-chloro-3-(2-methylpropoxy)-
CAS No: 89131-27-1 Catalog No: AG003Z4M MDL No:
Product Description
Catalog Number:
AG003Z4M
Chemical Name:
1,4-Naphthalenedione, 2-chloro-3-(2-methylpropoxy)-
CAS Number:
89131-27-1
Molecular Formula:
C14H13ClO3
Molecular Weight:
264.7042
IUPAC Name:
2-chloro-3-(2-methylpropoxy)naphthalene-1,4-dione
InChI:
InChI=1S/C14H13ClO3/c1-8(2)7-18-14-11(15)12(16)9-5-3-4-6-10(9)13(14)17/h3-6,8H,7H2,1-2H3
InChI Key:
QAPIJSATXMRTTN-UHFFFAOYSA-N
SMILES:
CC(COC1=C(Cl)C(=O)c2c(C1=O)cccc2)C
Properties
Complexity:
398
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:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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