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198634-93-4 | 2-Propen-1-ol, 3-(3-bromophenyl)-
CAS No: 198634-93-4 Catalog No: AG002BO1 MDL No:
Product Description
Catalog Number:
AG002BO1
Chemical Name:
2-Propen-1-ol, 3-(3-bromophenyl)-
CAS Number:
198634-93-4
Molecular Formula:
C9H9BrO
Molecular Weight:
213.0712
IUPAC Name:
(E)-3-(3-bromophenyl)prop-2-en-1-ol
InChI:
InChI=1S/C9H9BrO/c10-9-5-1-3-8(7-9)4-2-6-11/h1-5,7,11H,6H2/b4-2+
InChI Key:
FSYTZONKJWJPPJ-DUXPYHPUSA-N
SMILES:
OCC=Cc1cccc(c1)Br
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
211.984g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.074g/mol
Monoisotopic Mass:
211.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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