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Home > Bromides > 1443334-06-2
1443334-06-2 | 3-Bromo-2',4',5'-trimethylbenzhydrol
CAS No: 1443334-06-2 Catalog No: AG01FDL1 MDL No:
Product Description
Catalog Number:
AG01FDL1
Chemical Name:
3-Bromo-2',4',5'-trimethylbenzhydrol
CAS Number:
1443334-06-2
Molecular Formula:
C16H17BrO
Molecular Weight:
305.2096
IUPAC Name:
(3-bromophenyl)-(2,4,5-trimethylphenyl)methanol
InChI:
InChI=1S/C16H17BrO/c1-10-7-12(3)15(8-11(10)2)16(18)13-5-4-6-14(17)9-13/h4-9,16,18H,1-3H3
InChI Key:
ODTPVIHTLWAYHY-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(c1cc(C)c(cc1C)C)O
Properties
Complexity:
268
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:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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