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Home > Bromides > 1443351-59-4
1443351-59-4 | 3-Bromo-3',4'-(methylenedioxy)benzhydrol
CAS No: 1443351-59-4 Catalog No: AG01FC36 MDL No:
Product Description
Catalog Number:
AG01FC36
Chemical Name:
3-Bromo-3',4'-(methylenedioxy)benzhydrol
CAS Number:
1443351-59-4
Molecular Formula:
C14H11BrO3
Molecular Weight:
307.1393
IUPAC Name:
1,3-benzodioxol-5-yl-(3-bromophenyl)methanol
InChI:
InChI=1S/C14H11BrO3/c15-11-3-1-2-9(6-11)14(16)10-4-5-12-13(7-10)18-8-17-12/h1-7,14,16H,8H2
InChI Key:
FMOHSDVYYREUEI-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(c1ccc2c(c1)OCO2)O
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.989g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.143g/mol
Monoisotopic Mass:
305.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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