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20035-44-3 | Benzaldehyde, 5-bromo-3-ethoxy-2-hydroxy-
CAS No: 20035-44-3 Catalog No: AG002CPE MDL No:MFCD00579044
Product Description
Catalog Number:
AG002CPE
Chemical Name:
Benzaldehyde, 5-bromo-3-ethoxy-2-hydroxy-
CAS Number:
20035-44-3
Molecular Formula:
C9H9BrO3
Molecular Weight:
245.0700
MDL Number:
MFCD00579044
IUPAC Name:
5-bromo-3-ethoxy-2-hydroxybenzaldehyde
InChI:
InChI=1S/C9H9BrO3/c1-2-13-8-4-7(10)3-6(5-11)9(8)12/h3-5,12H,2H2,1H3
InChI Key:
VXBLUCOQXWXUBJ-UHFFFAOYSA-N
SMILES:
CCOc1cc(Br)cc(c1O)C=O
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.072g/mol
Monoisotopic Mass:
243.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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