Home Other Building Blocks [(3-CHLOROPHENYL)METHYL]BORONIC ACID

[(3-CHLOROPHENYL)METHYL]BORONIC ACID

CAS No.:
1350512-06-9
Catalog Number:
AG01DVWB
Molecular Formula:
C7H8BClO2
Molecular Weight:
170.4012
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Product Description
Catalog Number:
AG01DVWB
Chemical Name:
[(3-CHLOROPHENYL)METHYL]BORONIC ACID
CAS Number:
1350512-06-9
Molecular Formula:
C7H8BClO2
Molecular Weight:
170.4012
MDL Number:
MFCD18861682
IUPAC Name:
(3-chlorophenyl)methylboronic acid
InChI:
InChI=1S/C7H8BClO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,10-11H,5H2
InChI Key:
BSHSQFJVCZDZPG-UHFFFAOYSA-N
SMILES:
OB(Cc1cccc(c1)Cl)O
Properties
Complexity:
121  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.031g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
170.399g/mol
Monoisotopic Mass:
170.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties