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Home > Aldehydes > 873779-33-0
873779-33-0 | Benzaldehyde, 3-(bromomethyl)-2-hydroxy-5-methyl-
CAS No: 873779-33-0 Catalog No: AG004GWX MDL No:
Product Description
Catalog Number:
AG004GWX
Chemical Name:
Benzaldehyde, 3-(bromomethyl)-2-hydroxy-5-methyl-
CAS Number:
873779-33-0
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
IUPAC Name:
3-(bromomethyl)-2-hydroxy-5-methylbenzaldehyde
InChI:
InChI=1S/C9H9BrO2/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-3,5,12H,4H2,1H3
InChI Key:
ZETIWEFCVBMFNC-UHFFFAOYSA-N
SMILES:
BrCc1cc(C)cc(c1O)C=O
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.979g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.073g/mol
Monoisotopic Mass:
227.979g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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