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Home > Aldehydes > 1255794-73-0
1255794-73-0 | Benzaldehyde, 2-bromo-3-(hydroxymethyl)-
CAS No: 1255794-73-0 Catalog No: AG000NWB MDL No:
Product Description
Catalog Number:
AG000NWB
Chemical Name:
Benzaldehyde, 2-bromo-3-(hydroxymethyl)-
CAS Number:
1255794-73-0
Molecular Formula:
C8H7BrO2
Molecular Weight:
215.0440
IUPAC Name:
2-bromo-3-(hydroxymethyl)benzaldehyde
InChI:
InChI=1S/C8H7BrO2/c9-8-6(4-10)2-1-3-7(8)5-11/h1-4,11H,5H2
InChI Key:
RAICACCJOSWWSB-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1Br)C=O
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.963g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.046g/mol
Monoisotopic Mass:
213.963g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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