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Home > Boronic Acids > 875550-89-3
875550-89-3 | (2-Chloro-5-isopropylphenyl);boronic acid
CAS No: 875550-89-3 Catalog No: AG00IEOH MDL No:MFCD16295259
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
MDL Number:
MFCD16295259
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
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