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(3-CHLOROBENZYL)THIO]ACETIC ACID

(3-CHLOROBENZYL)THIO]ACETIC ACID structure

(3-CHLOROBENZYL)THIO]ACETIC ACID 

structure
  • CAS No:

    34722-33-3

  • Formula:

    C9H9ClO2S

  • Chemical Name:

    (3-CHLOROBENZYL)THIO]ACETIC ACID

  • Synonyms:

    Albb-007189;2-[(3-chlorobenzyl)thio]acetic acid;2-[(3-chlorophenyl)methylsulfanyl]ethanoic acid;2-[(3-chlorophenyl)methylthio]acetic acid

(3-CHLOROBENZYL)THIO]ACETIC ACID Basic Attributes

216.687

216.00100

DTXSID70366605

2930909090

Characteristics

62.6

2.65780

1.360±0.06 g/cm3(Predicted)

356.2ºC at 760mmHg

169.2ºC

1.605

Safety Information

IRRITANT

Computed Properties

Molecular Weight:216.68
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:216.0011784
Monoisotopic Mass:216.0011784
Topological Polar Surface Area:62.6
Heavy Atom Count:13
Complexity:175
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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