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Home > Boronic Acids > 1301179-21-4
1301179-21-4 | [2-(AZEPAN-1-YLMETHYL)PHENYL]BORONIC ACID
CAS No: 1301179-21-4 Catalog No: AG01ATGE MDL No:MFCD16198096
Product Description
Catalog Number:
AG01ATGE
Chemical Name:
[2-(AZEPAN-1-YLMETHYL)PHENYL]BORONIC ACID
CAS Number:
1301179-21-4
Molecular Formula:
C13H20BNO2
Molecular Weight:
233.1144
MDL Number:
MFCD16198096
IUPAC Name:
[2-(azepan-1-ylmethyl)phenyl]boronic acid
InChI:
InChI=1S/C13H20BNO2/c16-14(17)13-8-4-3-7-12(13)11-15-9-5-1-2-6-10-15/h3-4,7-8,16-17H,1-2,5-6,9-11H2
InChI Key:
MSQQAXBIFGLMTQ-UHFFFAOYSA-N
SMILES:
OB(c1ccccc1CN1CCCCCC1)O
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.159g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.118g/mol
Monoisotopic Mass:
233.159g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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