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151071-00-0 | Phenol, 4-bromo-2-(3-methyl-2-buten-1-yl)-
CAS No: 151071-00-0 Catalog No: AG001N2P MDL No:
Product Description
Catalog Number:
AG001N2P
Chemical Name:
Phenol, 4-bromo-2-(3-methyl-2-buten-1-yl)-
CAS Number:
151071-00-0
Molecular Formula:
C11H13BrO
Molecular Weight:
241.1243
IUPAC Name:
4-bromo-2-(3-methylbut-2-enyl)phenol
InChI:
InChI=1S/C11H13BrO/c1-8(2)3-4-9-7-10(12)5-6-11(9)13/h3,5-7,13H,4H2,1-2H3
InChI Key:
VCTDHGWQXXRHAC-UHFFFAOYSA-N
SMILES:
CC(=CCc1cc(Br)ccc1O)C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.128g/mol
Monoisotopic Mass:
240.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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