6-(methoxycarbonyl)-1H-indol-2-ylboronic acid

6-(methoxycarbonyl)-1H-indol-2-ylboronic acid

CAS: 1150114-47-8

Formula: C10H10BNO4

SMILES: COC(=O)C1=CC=C2C=C(NC2=C1)B(O)O

IUPAC: [6-(methoxycarbonyl)-1H-indol-2-yl]boronic acid

InChI: InChI=1S/C10H10BNO4/c1-16-10(13)7-3-2-6-5-9(11(14)15)12-8(6)4-7/h2-5,12,14-15H,1H3

Composition: C (54.84%), H (4.60%), B (4.94%), N (6.40%), O (29.22%)

Molar Mass: 219

Atom Count: 26

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	219.070288
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	NRUMZMTTWWXRDD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.97
Topological Polar Surface Area	82.55
Polarizability	23.17
Ring Count	2
Rotatable Bond Count	3

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