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24605-23-0 | 2,5-Cyclohexadiene-1,4-dione, 2-chloro-5-methoxy-
CAS No: 24605-23-0 Catalog No: AG002OQI MDL No:
Product Description
Catalog Number:
AG002OQI
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2-chloro-5-methoxy-
CAS Number:
24605-23-0
Molecular Formula:
C7H5ClO3
Molecular Weight:
172.5658
IUPAC Name:
2-chloro-5-methoxycyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C7H5ClO3/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3H,1H3
InChI Key:
WWLFUOKDVMSEFC-UHFFFAOYSA-N
SMILES:
COC1=CC(=O)C(=CC1=O)Cl
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.993g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.564g/mol
Monoisotopic Mass:
171.993g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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