methyl 4-(bromomethyl)-3-methoxybenzoate

methyl 4-(bromomethyl)-3-methoxybenzoate

CAS: 70264-94-7

Formula: C10H11BrO3

SMILES: COC(=O)C1=CC(OC)=C(CBr)C=C1

IUPAC: methyl 4-(bromomethyl)-3-methoxybenzoate

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