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Home > Aldehydes > 378749-91-8
378749-91-8 | Benzaldehyde, 2-(chloromethyl)-4,6-dihydroxy-
CAS No: 378749-91-8 Catalog No: AG01FM9C MDL No:MFCD20627405
Product Description
Catalog Number:
AG01FM9C
Chemical Name:
Benzaldehyde, 2-(chloromethyl)-4,6-dihydroxy-
CAS Number:
378749-91-8
Molecular Formula:
C8H7ClO3
Molecular Weight:
186.5924
MDL Number:
MFCD20627405
IUPAC Name:
2-(chloromethyl)-4,6-dihydroxybenzaldehyde
InChI:
InChI=1S/C8H7ClO3/c9-3-5-1-6(11)2-8(12)7(5)4-10/h1-2,4,11-12H,3H2
InChI Key:
KREOUOZRUNZLKL-UHFFFAOYSA-N
SMILES:
ClCc1cc(O)cc(c1C=O)O
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.008g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.591g/mol
Monoisotopic Mass:
186.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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