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875852-27-0 | 3-Buten-2-ol, 4-(4-bromophenyl)-
CAS No: 875852-27-0 Catalog No: AG004M4V MDL No:
Product Description
Catalog Number:
AG004M4V
Chemical Name:
3-Buten-2-ol, 4-(4-bromophenyl)-
CAS Number:
875852-27-0
Molecular Formula:
C10H11BrO
Molecular Weight:
227.0977
IUPAC Name:
4-(4-bromophenyl)but-3-en-2-ol
InChI:
InChI=1S/C10H11BrO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h2-8,12H,1H3
InChI Key:
QVAMPRCBAQIQBI-UHFFFAOYSA-N
SMILES:
CC(C=Cc1ccc(cc1)Br)O
Properties
Complexity:
148
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:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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