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Home > Boronic Acids > 1312942-38-3
1312942-38-3 | [3-(AZEPAN-1-YLMETHYL)PHENYL]BORONIC ACID
CAS No: 1312942-38-3 Catalog No: AG01ATGG MDL No:MFCD16198093
Product Description
Catalog Number:
AG01ATGG
Chemical Name:
[3-(AZEPAN-1-YLMETHYL)PHENYL]BORONIC ACID
CAS Number:
1312942-38-3
Molecular Formula:
C13H20BNO2
Molecular Weight:
233.1144
MDL Number:
MFCD16198093
IUPAC Name:
[3-(azepan-1-ylmethyl)phenyl]boronic acid
InChI:
InChI=1S/C13H20BNO2/c16-14(17)13-7-5-6-12(10-13)11-15-8-3-1-2-4-9-15/h5-7,10,16-17H,1-4,8-9,11H2
InChI Key:
ZWVKCHJYYXQZTN-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)CN1CCCCCC1)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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