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89106-39-8 | 1-Propanone, 1-(3-chloro-5-methoxyphenyl)-
CAS No: 89106-39-8 Catalog No: AG00409K MDL No:
Product Description
Catalog Number:
AG00409K
Chemical Name:
1-Propanone, 1-(3-chloro-5-methoxyphenyl)-
CAS Number:
89106-39-8
Molecular Formula:
C10H11ClO2
Molecular Weight:
198.6461
IUPAC Name:
1-(3-chloro-5-methoxyphenyl)propan-1-one
InChI:
InChI=1S/C10H11ClO2/c1-3-10(12)7-4-8(11)6-9(5-7)13-2/h4-6H,3H2,1-2H3
InChI Key:
VXGSMVHYWQMJIE-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cc(OC)cc(c1)Cl
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.646g/mol
Monoisotopic Mass:
198.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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