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Home > Bromides > 1392508-65-4
1392508-65-4 | 2-Bromo-3',4'-(methylenedioxy)benzhydrol
CAS No: 1392508-65-4 Catalog No: AG01FC06 MDL No:
Product Description
Catalog Number:
AG01FC06
Chemical Name:
2-Bromo-3',4'-(methylenedioxy)benzhydrol
CAS Number:
1392508-65-4
Molecular Formula:
C14H11BrO3
Molecular Weight:
307.1393
IUPAC Name:
1,3-benzodioxol-5-yl-(2-bromophenyl)methanol
InChI:
InChI=1S/C14H11BrO3/c15-11-4-2-1-3-10(11)14(16)9-5-6-12-13(7-9)18-8-17-12/h1-7,14,16H,8H2
InChI Key:
FDXJBZASIMJWRO-UHFFFAOYSA-N
SMILES:
Brc1ccccc1C(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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