CAS 37148-48-4|1-(4-amino-3,5-dichlorophenyl)ethanone|1-(4-amino-3,5-dichlorophenyl)ethan-1-one|4'-Amino-3',5'-dichloroacetophenone|4-氨基-3,5-二氯苯乙酮|1-(4-氨基-3,5-二氯苯基)-乙酮|4′-Amino-3′,5...

General Information

Structure

Molecular Formula

C₈H₇Cl₂NO

Molecular Mass

204.05328

Exact Mass

202.99046921

Charge

InChI

InChI=1S/C8H7Cl2NO/c1-4(12)5-2-6(9)8(11)7(10)3-5/h2-3H,11H2,1H3

InChIKey

JLPKZJDZXIKSCP-UHFFFAOYSA-N

Canonic Smiles

CC(=O)c1cc(Cl)c(c(c1)Cl)N

Isomeric Smiles

C(=O)(C)c1cc(c(c(c1)Cl)N)Cl

Calculated Properties

JChem

Acid pKa

16.318672

H Acceptors

H Donor

LogD (pH = 5.5)

1.9100543

LogD (pH = 7.4)

1.9100567

Log P

1.9100567

Molar Refractivity

50.7708

Polarizability

19.016329

Polar Surface Area

43.09

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

1-(4-amino-3,5-dichlorophenyl)ethanone

IUPAC name

1-(4-amino-3,5-dichlorophenyl)ethan-1-one

Synonyms

4'-Amino-3',5'-dichloroacetophenone4-氨基-3,5-二氯苯乙酮1-(4-氨基-3,5-二氯苯基)-乙酮4′-Amino-3′,5′-dichloroacetophenone1-(4-Amino-3,5-dichlorophenyl)-ethanone3',5'-二氯-4'-氨基苯乙酮3,5-Dichloro-4-aminoacetophenone1-(4-amino-3,5-dichlorophenyl)ethan-1-one1-(4-Amino-3,5-dichlorophenyl)-2-ethanone1-(4-Amino-3,5-dichlorophenyl)ethan-1-one

Names and Identifiers

Registration numbers

CAS Number

PubChem SID

MDL Number

EC Number

PubChem CID