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Home > Boronic Acids > 1198605-53-6
1198605-53-6 | 1H-Pyrrole-2-carboxylic acid, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS No: 1198605-53-6 Catalog No: AG000PSI MDL No:MFCD16995409
Product Description
Catalog Number:
AG000PSI
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS Number:
1198605-53-6
Molecular Formula:
C12H18BNO4
Molecular Weight:
251.0866
MDL Number:
MFCD16995409
IUPAC Name:
methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C12H18BNO4/c1-11(2)12(3,4)18-13(17-11)8-6-9(14-7-8)10(15)16-5/h6-7,14H,1-5H3
InChI Key:
FHFIOJIHWCKHMQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1[nH]cc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.133g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.089g/mol
Monoisotopic Mass:
251.133g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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