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Home > Aldehydes > 115787-50-3
115787-50-3 | Benzaldehyde, 5-(2-bromoacetyl)-2-hydroxy-
CAS No: 115787-50-3 Catalog No: AG000GVL MDL No:MFCD09833486
Product Description
Catalog Number:
AG000GVL
Chemical Name:
Benzaldehyde, 5-(2-bromoacetyl)-2-hydroxy-
CAS Number:
115787-50-3
Molecular Formula:
C9H7BrO3
Molecular Weight:
243.0541
MDL Number:
MFCD09833486
IUPAC Name:
5-(2-bromoacetyl)-2-hydroxybenzaldehyde
InChI:
InChI=1S/C9H7BrO3/c10-4-9(13)6-1-2-8(12)7(3-6)5-11/h1-3,5,12H,4H2
InChI Key:
LPSGRBXPXIPMPF-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(c(c1)C=O)O
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.958g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.056g/mol
Monoisotopic Mass:
241.958g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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