Home Boronic acids (2-Chloro-5-isopropylphenyl);boronic acid

(2-Chloro-5-isopropylphenyl);boronic acid

CAS No.:
875550-89-3
Catalog Number:
AG00IEOH
Molecular Formula:
C9H12BClO2
Molecular Weight:
198.4544
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Product Description
Catalog Number:
AG00IEOH
Chemical Name:
(2-Chloro-5-isopropylphenyl);boronic acid
CAS Number:
875550-89-3
Molecular Formula:
C9H12BClO2
Molecular Weight:
198.4544
IUPAC Name:
(2-chloro-5-propan-2-ylphenyl)boronic acid
InChI:
InChI=1S/C9H12BClO2/c1-6(2)7-3-4-9(11)8(5-7)10(12)13/h3-6,12-13H,1-2H3
InChI Key:
CPIMGNGCZOAXDQ-UHFFFAOYSA-N
SMILES:
CC(c1ccc(c(c1)B(O)O)Cl)C
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.062g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
198.453g/mol
Monoisotopic Mass:
198.062g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties