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87277-48-3 | 2-Butanone, 3-[(4-chlorophenyl)imino]-
CAS No: 87277-48-3 Catalog No: AG004PG1 MDL No:
Product Description
Catalog Number:
AG004PG1
Chemical Name:
2-Butanone, 3-[(4-chlorophenyl)imino]-
CAS Number:
87277-48-3
Molecular Formula:
C10H10ClNO
Molecular Weight:
195.6455
IUPAC Name:
3-(4-chlorophenyl)iminobutan-2-one
InChI:
InChI=1S/C10H10ClNO/c1-7(8(2)13)12-10-5-3-9(11)4-6-10/h3-6H,1-2H3
InChI Key:
PZIKZRIBTMATCC-UHFFFAOYSA-N
SMILES:
CC(=Nc1ccc(cc1)Cl)C(=O)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.646g/mol
Monoisotopic Mass:
195.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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