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24765-63-7 | 2-Butanone, 3-chloro-1-(4-methoxyphenyl)-
CAS No: 24765-63-7 Catalog No: AG002PD6 MDL No:
Product Description
Catalog Number:
AG002PD6
Chemical Name:
2-Butanone, 3-chloro-1-(4-methoxyphenyl)-
CAS Number:
24765-63-7
Molecular Formula:
C11H13ClO2
Molecular Weight:
212.6727
IUPAC Name:
3-chloro-1-(4-methoxyphenyl)butan-2-one
InChI:
InChI=1S/C11H13ClO2/c1-8(12)11(13)7-9-3-5-10(14-2)6-4-9/h3-6,8H,7H2,1-2H3
InChI Key:
RLDFMKFGGZKMTJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CC(=O)C(Cl)C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.06g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.673g/mol
Monoisotopic Mass:
212.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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