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Home > Boronic Acids > 2087452-50-2
2087452-50-2 | Boronic acid, B-(5-chloro-1,3-benzodioxol-4-yl)-
CAS No: 2087452-50-2 Catalog No: AG00IM19 MDL No:
Product Description
Catalog Number:
AG00IM19
Chemical Name:
Boronic acid, B-(5-chloro-1,3-benzodioxol-4-yl)-
CAS Number:
2087452-50-2
Molecular Formula:
C7H6BClO4
Molecular Weight:
200.3841
IUPAC Name:
(5-chloro-1,3-benzodioxol-4-yl)boronic acid
InChI:
InChI=1S/C7H6BClO4/c9-4-1-2-5-7(13-3-12-5)6(4)8(10)11/h1-2,10-11H,3H2
InChI Key:
OJUBGVPJUUYQRE-UHFFFAOYSA-N
SMILES:
OB(c1c(Cl)ccc2c1OCO2)O
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.005g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.381g/mol
Monoisotopic Mass:
200.005g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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