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27700-45-4 | Ethanone, 1-(3-aminophenyl)-2,2-dichloro-
CAS No: 27700-45-4 Catalog No: AG002UJL MDL No:
Product Description
Catalog Number:
AG002UJL
Chemical Name:
Ethanone, 1-(3-aminophenyl)-2,2-dichloro-
CAS Number:
27700-45-4
Molecular Formula:
C8H7Cl2NO
Molecular Weight:
204.0533
IUPAC Name:
1-(3-aminophenyl)-2,2-dichloroethanone
InChI:
InChI=1S/C8H7Cl2NO/c9-8(10)7(12)5-2-1-3-6(11)4-5/h1-4,8H,11H2
InChI Key:
JRRYMSJCAVMOKR-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)C(=O)C(Cl)Cl
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.99g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.05g/mol
Monoisotopic Mass:
202.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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