4-chloro-3-(ethylcarbamoyl)phenylboronic acid

4-chloro-3-(ethylcarbamoyl)phenylboronic acid

CAS: 871332-69-3

Formula: C9H11BClNO3

SMILES: CCNC(=O)C1=CC(=CC=C1Cl)B(O)O

IUPAC: [4-chloro-3-(ethylcarbamoyl)phenyl]boronic acid

InChI: InChI=1S/C9H11BClNO3/c1-2-12-9(13)7-5-6(10(14)15)3-4-8(7)11/h3-5,14-15H,2H2,1H3,(H,12,13)

Composition: C (47.53%), H (4.87%), B (4.75%), Cl (15.59%), N (6.16%), O (21.10%)

Molar Mass: 227.45

Atom Count: 26

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	227.052051
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	YMJAUMCTGHBWQK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.13
Topological Polar Surface Area	69.56
Polarizability	21.99
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	871332-69-3		$172.85-$1,191.29$172.85$342.59$1,191.29