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1183010-95-8 | Cyclohexyl (3-bromophenyl)methanol
CAS No: 1183010-95-8 Catalog No: AG01FE28 MDL No:
Product Description
Catalog Number:
AG01FE28
Chemical Name:
Cyclohexyl (3-bromophenyl)methanol
CAS Number:
1183010-95-8
Molecular Formula:
C13H17BrO
Molecular Weight:
269.1775
IUPAC Name:
(3-bromophenyl)-cyclohexylmethanol
InChI:
InChI=1S/C13H17BrO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h4,7-10,13,15H,1-3,5-6H2
InChI Key:
CJJAYOUEMHOFOF-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(C1CCCCC1)O
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.182g/mol
Monoisotopic Mass:
268.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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