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1072945-68-6

1072945-68-6 | 4-(CyclopropanesulfonaMido)phenylboronic acid

CAS No: 1072945-68-6 Catalog No: AG0090EY MDL No:MFCD10699614

Product Description

Catalog Number:
AG0090EY
Chemical Name:
4-(CyclopropanesulfonaMido)phenylboronic acid
CAS Number:
1072945-68-6
Molecular Formula:
C9H12BNO4S
Molecular Weight:
241.0719
MDL Number:
MFCD10699614
IUPAC Name:
[4-(cyclopropylsulfonylamino)phenyl]boronic acid
InChI:
InChI=1S/C9H12BNO4S/c12-10(13)7-1-3-8(4-2-7)11-16(14,15)9-5-6-9/h1-4,9,11-13H,5-6H2
InChI Key:
RYFOEMWOTGVANV-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)NS(=O)(=O)C1CC1)O

Properties

Complexity:
328  
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:
3  
Isotope Atom Count:
0
Molecular Weight:
241.068g/mol
Monoisotopic Mass:
241.058g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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