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Home > Boronic Acids > 871333-06-1
871333-06-1 | (3-((4,5-Dihydrothiazol-2-yl)carbamoyl)phenyl)boronic acid
CAS No: 871333-06-1 Catalog No: AG004OF3 MDL No:MFCD07363799
Product Description
Catalog Number:
AG004OF3
Chemical Name:
(3-((4,5-Dihydrothiazol-2-yl)carbamoyl)phenyl)boronic acid
CAS Number:
871333-06-1
Molecular Formula:
C10H11BN2O3S
Molecular Weight:
250.0819
MDL Number:
MFCD07363799
IUPAC Name:
[3-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C10H11BN2O3S/c14-9(13-10-12-4-5-17-10)7-2-1-3-8(6-7)11(15)16/h1-3,6,15-16H,4-5H2,(H,12,13,14)
InChI Key:
JKXDTFJXMNWUFU-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)B(O)O)NC1=NCCS1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.058g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
250.079g/mol
Monoisotopic Mass:
250.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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