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117360-45-9 | 1-Cyclohexene-1-methanol, 2-bromo-
CAS No: 117360-45-9 Catalog No: AG000E6I MDL No:
Product Description
Catalog Number:
AG000E6I
Chemical Name:
1-Cyclohexene-1-methanol, 2-bromo-
CAS Number:
117360-45-9
Molecular Formula:
C7H11BrO
Molecular Weight:
191.0656
IUPAC Name:
(2-bromocyclohexen-1-yl)methanol
InChI:
InChI=1S/C7H11BrO/c8-7-4-2-1-3-6(7)5-9/h9H,1-5H2
InChI Key:
SCUFZUNMLIZMCM-UHFFFAOYSA-N
SMILES:
OCC1=C(Br)CCCC1
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.999g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.068g/mol
Monoisotopic Mass:
189.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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