Home Boronic acids (3-(cyclopropylcarbaMoyl)-4-fluorophenyl)boronic acid

(3-(cyclopropylcarbaMoyl)-4-fluorophenyl)boronic acid

CAS No.:
1704081-55-9
Catalog Number:
AG00AR91
Molecular Formula:
C10H11BFNO3
Molecular Weight:
223.0086
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Product Description
Catalog Number:
AG00AR91
Chemical Name:
(3-(cyclopropylcarbaMoyl)-4-fluorophenyl)boronic acid
CAS Number:
1704081-55-9
Molecular Formula:
C10H11BFNO3
Molecular Weight:
223.0086
MDL Number:
MFCD28400436
IUPAC Name:
[3-(cyclopropylcarbamoyl)-4-fluorophenyl]boronic acid
InChI:
InChI=1S/C10H11BFNO3/c12-9-4-1-6(11(15)16)5-8(9)10(14)13-7-2-3-7/h1,4-5,7,15-16H,2-3H2,(H,13,14)
InChI Key:
RFPZSWXIIAPJOC-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)C(=O)NC1CC1)F)O
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.082g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
223.01g/mol
Monoisotopic Mass:
223.082g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties