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Home > Boronic Acids > 1778667-07-4
1778667-07-4 | N-(4-Boronophenyl)-1,3-propanesultam
CAS No: 1778667-07-4 Catalog No: AG00HZQP MDL No:MFCD27935719
Product Description
Catalog Number:
AG00HZQP
Chemical Name:
N-(4-Boronophenyl)-1,3-propanesultam
CAS Number:
1778667-07-4
Molecular Formula:
C9H12BNO4S
Molecular Weight:
241.0719
MDL Number:
MFCD27935719
IUPAC Name:
[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]boronic acid
InChI:
InChI=1S/C9H12BNO4S/c12-10(13)8-2-4-9(5-3-8)11-6-1-7-16(11,14)15/h2-5,12-13H,1,6-7H2
InChI Key:
DJRFEMBBOLGQFX-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)N1CCCS1(=O)=O)O
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.068g/mol
Monoisotopic Mass:
241.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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