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Home > Aldehydes > 860798-79-4
860798-79-4 | Benzaldehyde, 5-bromo-3-(chloromethyl)-2-hydroxy-
CAS No: 860798-79-4 Catalog No: AG004U2Z MDL No:
Product Description
Catalog Number:
AG004U2Z
Chemical Name:
Benzaldehyde, 5-bromo-3-(chloromethyl)-2-hydroxy-
CAS Number:
860798-79-4
Molecular Formula:
C8H6BrClO2
Molecular Weight:
249.4890
IUPAC Name:
5-bromo-3-(chloromethyl)-2-hydroxybenzaldehyde
InChI:
InChI=1S/C8H6BrClO2/c9-7-1-5(3-10)8(12)6(2-7)4-11/h1-2,4,12H,3H2
InChI Key:
MMCCSHFZDDRLLM-UHFFFAOYSA-N
SMILES:
ClCc1cc(Br)cc(c1O)C=O
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.924g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.488g/mol
Monoisotopic Mass:
247.924g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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