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1443341-67-0

1443341-67-0 | 2-Bromo-3'-iso-propylbenzhydrol

CAS No: 1443341-67-0 Catalog No: AG01FEXA MDL No:

Product Description

Catalog Number:
AG01FEXA
Chemical Name:
2-Bromo-3'-iso-propylbenzhydrol
CAS Number:
1443341-67-0
Molecular Formula:
C16H17BrO
Molecular Weight:
305.2096
IUPAC Name:
(2-bromophenyl)-(3-propan-2-ylphenyl)methanol
InChI:
InChI=1S/C16H17BrO/c1-11(2)12-6-5-7-13(10-12)16(18)14-8-3-4-9-15(14)17/h3-11,16,18H,1-2H3
InChI Key:
KQHGXDWHAYWIOY-UHFFFAOYSA-N
SMILES:
Brc1ccccc1C(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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