Home Other Building Blocks (6-Chloro-1,3-Benzodioxol-5-Yl)Methanol

(6-Chloro-1,3-Benzodioxol-5-Yl)Methanol

CAS No.:
2591-25-5
Catalog Number:
AG0034CR
Molecular Formula:
C8H7ClO3
Molecular Weight:
186.5924
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Product Description
Catalog Number:
AG0034CR
Chemical Name:
(6-Chloro-1,3-Benzodioxol-5-Yl)Methanol
CAS Number:
2591-25-5
Molecular Formula:
C8H7ClO3
Molecular Weight:
186.5924
MDL Number:
MFCD02683546
IUPAC Name:
(6-chloro-1,3-benzodioxol-5-yl)methanol
InChI:
InChI=1S/C8H7ClO3/c9-6-2-8-7(11-4-12-8)1-5(6)3-10/h1-2,10H,3-4H2
InChI Key:
ADHYYNHCXPPVHQ-UHFFFAOYSA-N
SMILES:
OCc1cc2OCOc2cc1Cl
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.008g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.591g/mol
Monoisotopic Mass:
186.008g/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