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23602-63-3 | Benzaldehyde, 5-chloro-2-hydroxy-3-methyl-
CAS No: 23602-63-3 Catalog No: AG002NVR MDL No:MFCD00275687
Product Description
Catalog Number:
AG002NVR
Chemical Name:
Benzaldehyde, 5-chloro-2-hydroxy-3-methyl-
CAS Number:
23602-63-3
Molecular Formula:
C8H7ClO2
Molecular Weight:
170.5930
MDL Number:
MFCD00275687
IUPAC Name:
5-chloro-2-hydroxy-3-methylbenzaldehyde
InChI:
InChI=1S/C8H7ClO2/c1-5-2-7(9)3-6(4-10)8(5)11/h2-4,11H,1H3
InChI Key:
NSKZAOKQZDLHGO-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Cl)cc(c1O)C
Properties
Complexity:
149
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:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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