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Home > Boronic Acids > 871329-61-2
871329-61-2 | (3-(Pyrrolidin-1-ylsulfonyl);phenyl);boronic acid
CAS No: 871329-61-2 Catalog No: AG004OTC MDL No:MFCD07783851
Product Description
Catalog Number:
AG004OTC
Chemical Name:
(3-(Pyrrolidin-1-ylsulfonyl);phenyl);boronic acid
CAS Number:
871329-61-2
Molecular Formula:
C10H14BNO4S
Molecular Weight:
255.0985
MDL Number:
MFCD07783851
IUPAC Name:
(3-pyrrolidin-1-ylsulfonylphenyl)boronic acid
InChI:
InChI=1S/C10H14BNO4S/c13-11(14)9-4-3-5-10(8-9)17(15,16)12-6-1-2-7-12/h3-5,8,13-14H,1-2,6-7H2
InChI Key:
RCRUXZHMXFQVRF-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)S(=O)(=O)N1CCCC1)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:
255.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.095g/mol
Monoisotopic Mass:
255.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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