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Home > Boronic Acids > 913835-90-2
913835-90-2 | 4-(1H-PYRROL-1-YLSULPHAMOYL)BENZENEBORONIC ACID 98
CAS No: 913835-90-2 Catalog No: AG00GSYE MDL No:MFCD08689522
Product Description
Catalog Number:
AG00GSYE
Chemical Name:
4-(1H-PYRROL-1-YLSULPHAMOYL)BENZENEBORONIC ACID 98
CAS Number:
913835-90-2
Molecular Formula:
C10H10BNO4S
Molecular Weight:
251.0667
MDL Number:
MFCD08689522
IUPAC Name:
(4-pyrrol-1-ylsulfonylphenyl)boronic acid
InChI:
InChI=1S/C10H10BNO4S/c13-11(14)9-3-5-10(6-4-9)17(15,16)12-7-1-2-8-12/h1-8,13-14H
InChI Key:
ONVBIHCHPHSAMF-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)S(=O)(=O)n1cccc1)O
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.042g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.063g/mol
Monoisotopic Mass:
251.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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