benzyl(4-bromo-3-fluorophenyl)carbamic acid

benzyl(4-bromo-3-fluorophenyl)carbamic acid

CAS: 510729-01-8

Formula: C14H11BrFNO2

SMILES: OC(=O)N(CC1=CC=CC=C1)C1=CC(F)=C(Br)C=C1

IUPAC: benzyl(4-bromo-3-fluorophenyl)carbamic acid

InChI: InChI=1S/C14H11BrFNO2/c15-12-7-6-11(8-13(12)16)17(14(18)19)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)

Composition: C (51.88%), H (3.42%), Br (24.65%), F (5.86%), N (4.32%), O (9.87%)

Molar Mass: 324.149

Atom Count: 30

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	322.99572
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	XSOBEYRSJABYSQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.34
Topological Polar Surface Area	40.54
Polarizability	27.8
Ring Count	2
Rotatable Bond Count	3

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98%	<5 Days	510729-01-8		$16,154.00-$23,400.00$2,492.00$16,154.00$23,400.00