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125094-31-7 | 3-Buten-2-one, 4-(3,5-dichloro-2-hydroxyphenyl)-, (3E)-
CAS No: 125094-31-7 Catalog No: AG000N4F MDL No:
Product Description
Catalog Number:
AG000N4F
Chemical Name:
3-Buten-2-one, 4-(3,5-dichloro-2-hydroxyphenyl)-, (3E)-
CAS Number:
125094-31-7
Molecular Formula:
C10H8Cl2O2
Molecular Weight:
231.0753
IUPAC Name:
4-(3,5-dichloro-2-hydroxyphenyl)but-3-en-2-one
InChI:
InChI=1S/C10H8Cl2O2/c1-6(13)2-3-7-4-8(11)5-9(12)10(7)14/h2-5,14H,1H3
InChI Key:
HKNVYZMNEFCDPR-UHFFFAOYSA-N
SMILES:
CC(=O)/C=C/c1cc(Cl)cc(c1O)Cl
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.99g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.072g/mol
Monoisotopic Mass:
229.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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