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2444-36-2 | 2-Chlorophenylacetic acid
CAS No: 2444-36-2 Catalog No: AG003H39 MDL No:MFCD00004317
Product Description
Catalog Number:
AG003H39
Chemical Name:
2-Chlorophenylacetic acid
CAS Number:
2444-36-2
Molecular Formula:
C8H7ClO2
Molecular Weight:
170.5930
MDL Number:
MFCD00004317
IUPAC Name:
2-(2-chlorophenyl)acetic acid
InChI:
InChI=1S/C8H7ClO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChI Key:
IUJAAIZKRJJZGQ-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccccc1Cl
EC Number:
219-482-0
NSC Number:
4613
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.013g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.592g/mol
Monoisotopic Mass:
170.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| 2-(2-Chloro-phen-yl)acetic acid. | Acta crystallographica. Section E, Structure reports online 20120601 |
| catena-Poly[[trimethyl-tin(IV)]-μ-2-(2-chloro-phenyl)-acetato]. | Acta crystallographica. Section E, Structure reports online 20091001 |
| 2,3-Bis(2-chloro-benz-yl)naphthalene-1,4-dione. | Acta crystallographica. Section E, Structure reports online 20080301 |
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