Home Halogens (7-bromo-2H-1,3-benzodioxol-5-yl)methanol

(7-bromo-2H-1,3-benzodioxol-5-yl)methanol

CAS No.:
940271-67-0
Catalog Number:
AG019X2X
Molecular Formula:
C8H7BrO3
Molecular Weight:
231.0434
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Product Description
Catalog Number:
AG019X2X
Chemical Name:
(7-bromo-2H-1,3-benzodioxol-5-yl)methanol
CAS Number:
940271-67-0
Molecular Formula:
C8H7BrO3
Molecular Weight:
231.0434
MDL Number:
MFCD09385014
IUPAC Name:
(7-bromo-1,3-benzodioxol-5-yl)methanol
InChI:
InChI=1S/C8H7BrO3/c9-6-1-5(3-10)2-7-8(6)12-4-11-7/h1-2,10H,3-4H2
InChI Key:
MLLUEEMMMFWGFG-UHFFFAOYSA-N
SMILES:
OCc1cc(Br)c2c(c1)OCO2
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.958g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.045g/mol
Monoisotopic Mass:
229.958g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties