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1072951-39-3

1072951-39-3 | 5-(Boc-aminomethyl)thiophene-2-boronic acid

CAS No: 1072951-39-3 Catalog No: AG0038CH MDL No:MFCD11504845

Product Description

Catalog Number:
AG0038CH
Chemical Name:
5-(Boc-aminomethyl)thiophene-2-boronic acid
CAS Number:
1072951-39-3
Molecular Formula:
C10H16BNO4S
Molecular Weight:
257.1143
MDL Number:
MFCD11504845
IUPAC Name:
[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophen-2-yl]boronic acid
InChI:
InChI=1S/C10H16BNO4S/c1-10(2,3)16-9(13)12-6-7-4-5-8(17-7)11(14)15/h4-5,14-15H,6H2,1-3H3,(H,12,13)
InChI Key:
LCYICDNCCZCYQI-UHFFFAOYSA-N
SMILES:
OB(c1ccc(s1)C(C(=O)OC(C)(C)C)N)O

Properties

Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.089g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
257.111g/mol
Monoisotopic Mass:
257.089g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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