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175136-06-8 | 1H-Inden-4-ol, 5-bromo-2,3-dihydro-7-methyl-
CAS No: 175136-06-8 Catalog No: AG00208D MDL No:MFCD00173676
Product Description
Catalog Number:
AG00208D
Chemical Name:
1H-Inden-4-ol, 5-bromo-2,3-dihydro-7-methyl-
CAS Number:
175136-06-8
Molecular Formula:
C10H11BrO
Molecular Weight:
227.0977
MDL Number:
MFCD00173676
IUPAC Name:
5-bromo-7-methyl-2,3-dihydro-1H-inden-4-ol
InChI:
InChI=1S/C10H11BrO/c1-6-5-9(11)10(12)8-4-2-3-7(6)8/h5,12H,2-4H2,1H3
InChI Key:
JVSJLQABHNFCLL-UHFFFAOYSA-N
SMILES:
Cc1cc(Br)c(c2c1CCC2)O
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.999g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.101g/mol
Monoisotopic Mass:
225.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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