methyl 6-bromo-2-fluoro-3-methylbenzoate

methyl 6-bromo-2-fluoro-3-methylbenzoate

CAS: 1437780-03-4

Formula: C9H8BrFO2

SMILES: COC(=O)C1=C(Br)C=CC(C)=C1F

IUPAC: methyl 6-bromo-2-fluoro-3-methylbenzoate

InChI: InChI=1S/C9H8BrFO2/c1-5-3-4-6(10)7(8(5)11)9(12)13-2/h3-4H,1-2H3

Composition: C (43.75%), H (3.26%), Br (32.34%), F (7.69%), O (12.95%)

Molar Mass: 247.063

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	245.969171
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	AHFHGHNOEORYLM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.96
Topological Polar Surface Area	26.3
Polarizability	19.22
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1437780-03-4		$34.05-$407.30$34.05$42.87$128.62$407.30