7-methyl-1H-indol-2-ylboronic acid

7-methyl-1H-indol-2-ylboronic acid

CAS: 2408429-90-1

Formula: C9H10BNO2

SMILES: CC1=C2NC(=CC2=CC=C1)B(O)O

IUPAC: (7-methyl-1H-indol-2-yl)boronic acid

InChI: InChI=1S/C9H10BNO2/c1-6-3-2-4-7-5-8(10(12)13)11-9(6)7/h2-5,11-13H,1H3

Composition: C (61.77%), H (5.76%), B (6.18%), N (8.00%), O (18.29%)

Molar Mass: 174.99

Atom Count: 23

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	175.080459
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	3
InChIKey	SMRHPDDQEIFCBO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.98
Topological Polar Surface Area	56.25
Polarizability	20.53
Ring Count	2
Rotatable Bond Count	1

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97%	<2 Days	2408429-90-1		$148.35-$1,147.70$148.35$184.00$251.85$388.70$1,147.70