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Home > Aldehydes > 616195-96-1
616195-96-1 | 2,6-Dichloro-4-hydroxymethylbenzaldehyde
CAS No: 616195-96-1 Catalog No: AG01EWNO MDL No:
Product Description
Catalog Number:
AG01EWNO
Chemical Name:
2,6-Dichloro-4-hydroxymethylbenzaldehyde
CAS Number:
616195-96-1
Molecular Formula:
C8H6Cl2O2
Molecular Weight:
205.0380
IUPAC Name:
2,6-dichloro-4-(hydroxymethyl)benzaldehyde
InChI:
InChI=1S/C8H6Cl2O2/c9-7-1-5(3-11)2-8(10)6(7)4-12/h1-2,4,11H,3H2
InChI Key:
PLSBLWXOKQLJFA-UHFFFAOYSA-N
SMILES:
OCc1cc(Cl)c(c(c1)Cl)C=O
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.974g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.034g/mol
Monoisotopic Mass:
203.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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