methyl 3-bromo-5-fluoro-2-methylbenzoate

methyl 3-bromo-5-fluoro-2-methylbenzoate

CAS: 1187318-53-1

Formula: C9H8BrFO2

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

IUPAC: methyl 3-bromo-5-fluoro-2-methylbenzoate

InChI: InChI=1S/C9H8BrFO2/c1-5-7(9(12)13-2)3-6(11)4-8(5)10/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	SHONDVRWLQICAZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.96
Topological Polar Surface Area	26.3
Polarizability	19.21
Ring Count	1
Rotatable Bond Count	2

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