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1443352-30-4 | 3-Bromo-3'-iso-propylbenzhydrol
CAS No: 1443352-30-4 Catalog No: AG01FEXG MDL No:
Product Description
Catalog Number:
AG01FEXG
Chemical Name:
3-Bromo-3'-iso-propylbenzhydrol
CAS Number:
1443352-30-4
Molecular Formula:
C16H17BrO
Molecular Weight:
305.2096
IUPAC Name:
(3-bromophenyl)-(3-propan-2-ylphenyl)methanol
InChI:
InChI=1S/C16H17BrO/c1-11(2)12-5-3-6-13(9-12)16(18)14-7-4-8-15(17)10-14/h3-11,16,18H,1-2H3
InChI Key:
YXTJXLCGRUQPKJ-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(c1cccc(c1)C(C)C)O
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.046g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.215g/mol
Monoisotopic Mass:
304.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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