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56961-31-0 | 2-chloro-6-hydroxy-Benzoicacid
CAS No: 56961-31-0 Catalog No: AG0038N5 MDL No:MFCD10687031
Product Description
Catalog Number:
AG0038N5
Chemical Name:
2-chloro-6-hydroxy-Benzoicacid
CAS Number:
56961-31-0
Molecular Formula:
C7H5ClO3
Molecular Weight:
172.5658
MDL Number:
MFCD10687031
IUPAC Name:
2-chloro-6-hydroxybenzoic acid
InChI:
InChI=1S/C7H5ClO3/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,9H,(H,10,11)
InChI Key:
QCEPIUWMXRQPIF-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(O)cccc1Cl
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.993g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.564g/mol
Monoisotopic Mass:
171.993g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Anaerobic degradation and dehalogenation of chlorosalicylates and salicylate under four reducing conditions. | Biodegradation 20010101 |
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