methyl 2-(bromomethyl)-5-methoxybenzoate

methyl 2-(bromomethyl)-5-methoxybenzoate

CAS: 788081-99-2

Formula: C10H11BrO3

SMILES: COC(=O)C1=CC(OC)=CC=C1CBr

IUPAC: methyl 2-(bromomethyl)-5-methoxybenzoate

InChI: InChI=1S/C10H11BrO3/c1-13-8-4-3-7(6-11)9(5-8)10(12)14-2/h3-5H,6H2,1-2H3

Composition: C (46.36%), H (4.28%), Br (30.84%), O (18.52%)

Molar Mass: 259.099

Atom Count: 25

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	257.989157
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	GQGYGEVWBRHRTD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.4
Topological Polar Surface Area	35.53
Polarizability	21.9
Ring Count	1
Rotatable Bond Count	4

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