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1186677-92-8 | 2-Bromo-4'-tert-butylbenzhydrol
CAS No: 1186677-92-8 Catalog No: AG01FET6 MDL No:
Product Description
Catalog Number:
AG01FET6
Chemical Name:
2-Bromo-4'-tert-butylbenzhydrol
CAS Number:
1186677-92-8
Molecular Formula:
C17H19BrO
Molecular Weight:
319.2362
IUPAC Name:
(2-bromophenyl)-(4-tert-butylphenyl)methanol
InChI:
InChI=1S/C17H19BrO/c1-17(2,3)13-10-8-12(9-11-13)16(19)14-6-4-5-7-15(14)18/h4-11,16,19H,1-3H3
InChI Key:
NTDWLWNXNMZNRB-UHFFFAOYSA-N
SMILES:
Brc1ccccc1C(c1ccc(cc1)C(C)(C)C)O
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.242g/mol
Monoisotopic Mass:
318.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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