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441060-95-3 | 2-(2-Chloro-4-methoxyphenyl)-3-oxobutanenitrile
CAS No: 441060-95-3 Catalog No: AG003ER6 MDL No:MFCD08445711
Product Description
Catalog Number:
AG003ER6
Chemical Name:
2-(2-Chloro-4-methoxyphenyl)-3-oxobutanenitrile
CAS Number:
441060-95-3
Molecular Formula:
C11H10ClNO2
Molecular Weight:
223.6556
MDL Number:
MFCD08445711
IUPAC Name:
2-(2-chloro-4-methoxyphenyl)-3-oxobutanenitrile
InChI:
InChI=1S/C11H10ClNO2/c1-7(14)10(6-13)9-4-3-8(15-2)5-11(9)12/h3-5,10H,1-2H3
InChI Key:
PBMDCUAGVOXBMF-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cc1Cl)OC)C(=O)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.04g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.656g/mol
Monoisotopic Mass:
223.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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