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133118-79-3 | 2H-1-Benzopyran-3-ol, 8-bromo-3,4-dihydro-
CAS No: 133118-79-3 Catalog No: AG0014AE MDL No:
Product Description
Catalog Number:
AG0014AE
Chemical Name:
2H-1-Benzopyran-3-ol, 8-bromo-3,4-dihydro-
CAS Number:
133118-79-3
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
IUPAC Name:
8-bromo-3,4-dihydro-2H-chromen-3-ol
InChI:
InChI=1S/C9H9BrO2/c10-8-3-1-2-6-4-7(11)5-12-9(6)8/h1-3,7,11H,4-5H2
InChI Key:
RWPMFKDQGCPGHX-UHFFFAOYSA-N
SMILES:
OC1Cc2cccc(c2OC1)Br
Properties
Complexity:
163
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:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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