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Home > Boronic Acids > 876918-90-0
876918-90-0 | Boronic acid, [3-cyano-4-(1-pyrrolidinyl)phenyl]-
CAS No: 876918-90-0 Catalog No: AG00IEQ6 MDL No:MFCD27931158
Product Description
Catalog Number:
AG00IEQ6
Chemical Name:
Boronic acid, [3-cyano-4-(1-pyrrolidinyl)phenyl]-
CAS Number:
876918-90-0
Molecular Formula:
C11H13BN2O2
Molecular Weight:
216.0441
MDL Number:
MFCD27931158
IUPAC Name:
(3-cyano-4-pyrrolidin-1-ylphenyl)boronic acid
InChI:
InChI=1S/C11H13BN2O2/c13-8-9-7-10(12(15)16)3-4-11(9)14-5-1-2-6-14/h3-4,7,15-16H,1-2,5-6H2
InChI Key:
TUWQXPBXVHMPFO-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1N1CCCC1)B(O)O
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.107g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.047g/mol
Monoisotopic Mass:
216.107g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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