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15787-86-7 | 2-Propen-1-one, 3-chloro-1-(4-methoxyphenyl)-
CAS No: 15787-86-7 Catalog No: AG001PRZ MDL No:
Product Description
Catalog Number:
AG001PRZ
Chemical Name:
2-Propen-1-one, 3-chloro-1-(4-methoxyphenyl)-
CAS Number:
15787-86-7
Molecular Formula:
C10H9ClO2
Molecular Weight:
196.6303
IUPAC Name:
3-chloro-1-(4-methoxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C10H9ClO2/c1-13-9-4-2-8(3-5-9)10(12)6-7-11/h2-7H,1H3
InChI Key:
NTFFVFPCZOKKOT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)C=CCl
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.029g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.63g/mol
Monoisotopic Mass:
196.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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