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Home > Boronic Acids > 1217501-00-2
1217501-00-2 | Boronic acid, B-[4-(1-cyanocyclopropyl)phenyl]-
CAS No: 1217501-00-2 Catalog No: AG0015RO MDL No:MFCD12546546
Product Description
Catalog Number:
AG0015RO
Chemical Name:
Boronic acid, B-[4-(1-cyanocyclopropyl)phenyl]-
CAS Number:
1217501-00-2
Molecular Formula:
C10H10BNO2
Molecular Weight:
187.0029
MDL Number:
MFCD12546546
IUPAC Name:
[4-(1-cyanocyclopropyl)phenyl]boronic acid
InChI:
InChI=1S/C10H10BNO2/c12-7-10(5-6-10)8-1-3-9(4-2-8)11(13)14/h1-4,13-14H,5-6H2
InChI Key:
NOICYZKSQYFZPX-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C1(CC1)C#N)O
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.005g/mol
Monoisotopic Mass:
187.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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