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1256345-72-8 | Boronic acid, B-[4-(1-aminocyclopropyl)phenyl]-, hydrochloride (1:1)
CAS No: 1256345-72-8 Catalog No: AG000NZT MDL No:MFCD16660279
Product Description
Catalog Number:
AG000NZT
Chemical Name:
Boronic acid, B-[4-(1-aminocyclopropyl)phenyl]-, hydrochloride (1:1)
CAS Number:
1256345-72-8
Molecular Formula:
C9H13BClNO2
Molecular Weight:
213.4690
MDL Number:
MFCD16660279
IUPAC Name:
[4-(1-aminocyclopropyl)phenyl]boronic acid;hydrochloride
InChI:
InChI=1S/C9H12BNO2.ClH/c11-9(5-6-9)7-1-3-8(4-2-7)10(12)13;/h1-4,12-13H,5-6,11H2;1H
InChI Key:
KCTAZNMFDNLLCX-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C1(N)CC1)O.Cl
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.073g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
213.468g/mol
Monoisotopic Mass:
213.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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