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121898-54-2 | 1-Cyclopentene-1-methanol, 2-bromo-
CAS No: 121898-54-2 Catalog No: AG0016CZ MDL No:MFCD25956680
Product Description
Catalog Number:
AG0016CZ
Chemical Name:
1-Cyclopentene-1-methanol, 2-bromo-
CAS Number:
121898-54-2
Molecular Formula:
C6H9BrO
Molecular Weight:
177.0391
MDL Number:
MFCD25956680
IUPAC Name:
(2-bromocyclopenten-1-yl)methanol
InChI:
InChI=1S/C6H9BrO/c7-6-3-1-2-5(6)4-8/h8H,1-4H2
InChI Key:
TZWYIKFZJLGJEB-UHFFFAOYSA-N
SMILES:
OCC1=C(Br)CCC1
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.984g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.041g/mol
Monoisotopic Mass:
175.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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