Home Halogens Boronic acid, B-[4-[[(2-chlorophenyl)amino]carbonyl]phenyl]-

Boronic acid, B-[4-[[(2-chlorophenyl)amino]carbonyl]phenyl]-

CAS No.:
874288-04-7
Catalog Number:
AG01DUD1
Molecular Formula:
C13H11BClNO3
Molecular Weight:
275.4953
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Product Description
Catalog Number:
AG01DUD1
Chemical Name:
Boronic acid, B-[4-[[(2-chlorophenyl)amino]carbonyl]phenyl]-
CAS Number:
874288-04-7
Molecular Formula:
C13H11BClNO3
Molecular Weight:
275.4953
MDL Number:
MFCD31648861
IUPAC Name:
[4-[(2-chlorophenyl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C13H11BClNO3/c15-11-3-1-2-4-12(11)16-13(17)9-5-7-10(8-6-9)14(18)19/h1-8,18-19H,(H,16,17)
InChI Key:
XVMZTRLIHUGIFN-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)B(O)O)Nc1ccccc1Cl
Properties
Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.052g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
275.495g/mol
Monoisotopic Mass:
275.052g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties