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Home > Aldehydes > 116475-68-4
116475-68-4 | Benzaldehyde, 2-chloro-6-hydroxy-4-methoxy-
CAS No: 116475-68-4 Catalog No: AG000CKB MDL No:MFCD23705594
Product Description
Catalog Number:
AG000CKB
Chemical Name:
Benzaldehyde, 2-chloro-6-hydroxy-4-methoxy-
CAS Number:
116475-68-4
Molecular Formula:
C8H7ClO3
Molecular Weight:
186.5924
MDL Number:
MFCD23705594
IUPAC Name:
2-chloro-6-hydroxy-4-methoxybenzaldehyde
InChI:
InChI=1S/C8H7ClO3/c1-12-5-2-7(9)6(4-10)8(11)3-5/h2-4,11H,1H3
InChI Key:
XLXMDMGOYNUVQL-UHFFFAOYSA-N
SMILES:
COc1cc(O)c(c(c1)Cl)C=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:
1
Isotope Atom Count:
0
Molecular Weight:
186.591g/mol
Monoisotopic Mass:
186.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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