methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-3-carboxylate

methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-3-carboxylate

CAS: 1268619-58-4

Formula: C12H18BNO4

SMILES: COC(=O)C1=CNC(=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-3-carboxylate

InChI: InChI=1S/C12H18BNO4/c1-11(2)12(3,4)18-13(17-11)9-6-8(7-14-9)10(15)16-5/h6-7,14H,1-5H3

Composition: C (57.40%), H (7.23%), B (4.31%), N (5.58%), O (25.49%)

Molar Mass: 251.09

Atom Count: 36

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	251.132888
Formal Charge	0
FSP3	0.58
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BSVMPMYZRFLSEK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.75
Topological Polar Surface Area	60.55
Polarizability	26.16
Ring Count	2
Rotatable Bond Count	3

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