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1217500-77-0 | Boronic acid, B-[2-(aminomethyl)-5-[(1-oxo-2-propen-1-yl)amino]phenyl]-
CAS No: 1217500-77-0 Catalog No: AG0015QV MDL No:
Product Description
Catalog Number:
AG0015QV
Chemical Name:
Boronic acid, B-[2-(aminomethyl)-5-[(1-oxo-2-propen-1-yl)amino]phenyl]-
CAS Number:
1217500-77-0
Molecular Formula:
C10H13BN2O3
Molecular Weight:
220.0328
IUPAC Name:
[2-(aminomethyl)-5-(prop-2-enoylamino)phenyl]boronic acid
InChI:
InChI=1S/C10H13BN2O3/c1-2-10(14)13-8-4-3-7(6-12)9(5-8)11(15)16/h2-5,15-16H,1,6,12H2,(H,13,14)
InChI Key:
NBTGYNPSMSRPPF-UHFFFAOYSA-N
SMILES:
C=CC(=O)Nc1ccc(c(c1)B(O)O)CN
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.102g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
220.035g/mol
Monoisotopic Mass:
220.102g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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