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116485-89-3 | Butanal, 2-[(5-bromo-2-hydroxyphenyl)methylene]-
CAS No: 116485-89-3 Catalog No: AG000CM2 MDL No:
Product Description
Catalog Number:
AG000CM2
Chemical Name:
Butanal, 2-[(5-bromo-2-hydroxyphenyl)methylene]-
CAS Number:
116485-89-3
Molecular Formula:
C11H11BrO2
Molecular Weight:
255.1078
IUPAC Name:
2-[(5-bromo-2-hydroxyphenyl)methylidene]butanal
InChI:
InChI=1S/C11H11BrO2/c1-2-8(7-13)5-9-6-10(12)3-4-11(9)14/h3-7,14H,2H2,1H3
InChI Key:
ACTHXAMYXZGNOG-UHFFFAOYSA-N
SMILES:
CCC(=Cc1cc(Br)ccc1O)C=O
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.994g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.111g/mol
Monoisotopic Mass:
253.994g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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