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1217501-49-9 | Boronic acid, B-[4-[(cyclopropylamino)sulfonyl]-2-methylphenyl]-
CAS No: 1217501-49-9 Catalog No: AG0015T1 MDL No:MFCD13195670
Product Description
Catalog Number:
AG0015T1
Chemical Name:
Boronic acid, B-[4-[(cyclopropylamino)sulfonyl]-2-methylphenyl]-
CAS Number:
1217501-49-9
Molecular Formula:
C10H14BNO4S
Molecular Weight:
255.0985
MDL Number:
MFCD13195670
IUPAC Name:
[4-(cyclopropylsulfamoyl)-2-methylphenyl]boronic acid
InChI:
InChI=1S/C10H14BNO4S/c1-7-6-9(4-5-10(7)11(13)14)17(15,16)12-8-2-3-8/h4-6,8,12-14H,2-3H2,1H3
InChI Key:
KKXNAMHBRNMSBO-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1C)S(=O)(=O)NC1CC1)O
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
255.095g/mol
Monoisotopic Mass:
255.074g/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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