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1273935-00-4 | 3-Bromo-4'-n-butylbenzhydrol
CAS No: 1273935-00-4 Catalog No: AG01FFA2 MDL No:
Product Description
Catalog Number:
AG01FFA2
Chemical Name:
3-Bromo-4'-n-butylbenzhydrol
CAS Number:
1273935-00-4
Molecular Formula:
C17H19BrO
Molecular Weight:
319.2362
IUPAC Name:
(3-bromophenyl)-(4-butylphenyl)methanol
InChI:
InChI=1S/C17H19BrO/c1-2-3-5-13-8-10-14(11-9-13)17(19)15-6-4-7-16(18)12-15/h4,6-12,17,19H,2-3,5H2,1H3
InChI Key:
JNOLQBRDXWLYAU-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)C(c1cccc(c1)Br)O
Properties
Complexity:
248
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:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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