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56962-10-8 | 2-Chloro-3-hydroxybenzaldehyde
CAS No: 56962-10-8 Catalog No: AG003GVN MDL No:MFCD06798118
Product Description
Catalog Number:
AG003GVN
Chemical Name:
2-Chloro-3-hydroxybenzaldehyde
CAS Number:
56962-10-8
Molecular Formula:
C7H5ClO2
Molecular Weight:
156.5664
MDL Number:
MFCD06798118
IUPAC Name:
2-chloro-3-hydroxybenzaldehyde
InChI:
InChI=1S/C7H5ClO2/c8-7-5(4-9)2-1-3-6(7)10/h1-4,10H
InChI Key:
SEEAPLJEIJXFFU-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1Cl)O
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.998g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.565g/mol
Monoisotopic Mass:
155.998g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Hydrogen bond, dimerization and vibrational modes in 2-chloro-3-hydroxybenzaldehyde and 3-chloro-4-hydroxybenzaldehyde from vibrational and ab initio studies. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20101201 |
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