methyl 3-(bromomethyl)furan-2-carboxylate

methyl 3-(bromomethyl)furan-2-carboxylate

CAS: 23268-19-1

Formula: C7H7BrO3

SMILES: COC(=O)C1=C(CBr)C=CO1

IUPAC: methyl 3-(bromomethyl)furan-2-carboxylate

InChI: InChI=1S/C7H7BrO3/c1-10-7(9)6-5(4-8)2-3-11-6/h2-3H,4H2,1H3

Composition: C (38.39%), H (3.22%), Br (36.48%), O (21.91%)

Molar Mass: 219.034

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	217.957857
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	KBSMQYFLZWRZQK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.32
Topological Polar Surface Area	39.44
Polarizability	16.45
Ring Count	1
Rotatable Bond Count	3

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