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Home > Boronic Acids > 1256360-07-2
1256360-07-2 | 1H-Pyrrole-1-carboxylic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1-methylethyl ester
CAS No: 1256360-07-2 Catalog No: AG000O81 MDL No:MFCD16036145
Product Description
Catalog Number:
AG000O81
Chemical Name:
1H-Pyrrole-1-carboxylic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1-methylethyl ester
CAS Number:
1256360-07-2
Molecular Formula:
C14H22BNO4
Molecular Weight:
279.1398
MDL Number:
MFCD16036145
IUPAC Name:
propan-2-yl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole-1-carboxylate
InChI:
InChI=1S/C14H22BNO4/c1-10(2)18-12(17)16-8-7-11(9-16)15-19-13(3,4)14(5,6)20-15/h7-10H,1-6H3
InChI Key:
MSGYSVHMKDSIFV-UHFFFAOYSA-N
SMILES:
CC(OC(=O)n1ccc(c1)B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.164g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.143g/mol
Monoisotopic Mass:
279.164g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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