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165071-70-5 | Boronic acid, [1-(phenylsulfonyl)-1H-pyrrol-2-yl]- (9CI)
CAS No: 165071-70-5 Catalog No: AG001V95 MDL No:
Product Description
Catalog Number:
AG001V95
Chemical Name:
Boronic acid, [1-(phenylsulfonyl)-1H-pyrrol-2-yl]- (9CI)
CAS Number:
165071-70-5
Molecular Formula:
C10H10BNO4S
Molecular Weight:
251.0667
IUPAC Name:
[1-(benzenesulfonyl)pyrrol-2-yl]boronic acid
InChI:
InChI=1S/C10H10BNO4S/c13-11(14)10-7-4-8-12(10)17(15,16)9-5-2-1-3-6-9/h1-8,13-14H
InChI Key:
YNZZJEOSBKZERV-UHFFFAOYSA-N
SMILES:
OB(c1cccn1S(=O)(=O)c1ccccc1)O
Properties
Complexity:
348
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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