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817209-18-0 | ethanone, 1-(2-amino-3-chloro-4-methylphenyl)-
CAS No: 817209-18-0 Catalog No: AG00518I MDL No:
Product Description
Catalog Number:
AG00518I
Chemical Name:
ethanone, 1-(2-amino-3-chloro-4-methylphenyl)-
CAS Number:
817209-18-0
Molecular Formula:
C9H10ClNO
Molecular Weight:
183.6348
IUPAC Name:
1-(2-amino-3-chloro-4-methylphenyl)ethanone
InChI:
InChI=1S/C9H10ClNO/c1-5-3-4-7(6(2)12)9(11)8(5)10/h3-4H,11H2,1-2H3
InChI Key:
SYQWAHAWWZTXQZ-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(c(c1N)Cl)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.045g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.635g/mol
Monoisotopic Mass:
183.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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