methyl 3-(bromomethyl)-2-fluorobenzoate

methyl 3-(bromomethyl)-2-fluorobenzoate

CAS: 171670-20-5

Formula: C9H8BrFO2

SMILES: COC(=O)C1=CC=CC(CBr)=C1F

IUPAC: methyl 3-(bromomethyl)-2-fluorobenzoate

InChI: InChI=1S/C9H8BrFO2/c1-13-9(12)7-4-2-3-6(5-10)8(7)11/h2-4H,5H2,1H3

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	NSVDTWNBEXSVII-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.15
Topological Polar Surface Area	26.3
Polarizability	19.19
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	171670-20-5		$112.23-$297.60$112.23$297.60