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Home > Boronic Acids > 868395-81-7
868395-81-7 | Boronic acid, [4-[1-(1-pyrrolidinyl)ethyl]phenyl]-
CAS No: 868395-81-7 Catalog No: AG00IE86 MDL No:MFCD08059976
Product Description
Catalog Number:
AG00IE86
Chemical Name:
Boronic acid, [4-[1-(1-pyrrolidinyl)ethyl]phenyl]-
CAS Number:
868395-81-7
Molecular Formula:
C12H18BNO2
Molecular Weight:
219.0878
MDL Number:
MFCD08059976
IUPAC Name:
[4-(1-pyrrolidin-1-ylethyl)phenyl]boronic acid
InChI:
InChI=1S/C12H18BNO2/c1-10(14-8-2-3-9-14)11-4-6-12(7-5-11)13(15)16/h4-7,10,15-16H,2-3,8-9H2,1H3
InChI Key:
NQLHGKJEUGXKQH-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(N1CCCC1)C)O
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.143g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.091g/mol
Monoisotopic Mass:
219.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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