methyl 3-bromo-5-propoxybenzoate

methyl 3-bromo-5-propoxybenzoate

CAS: 1261956-31-3

Formula: C11H13BrO3

SMILES: CCCOC1=CC(Br)=CC(=C1)C(=O)OC

IUPAC: methyl 3-bromo-5-propoxybenzoate

InChI: InChI=1S/C11H13BrO3/c1-3-4-15-10-6-8(11(13)14-2)5-9(12)7-10/h5-7H,3-4H2,1-2H3

Composition: C (48.37%), H (4.80%), Br (29.26%), O (17.57%)

Molar Mass: 273.126

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	272.004807
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	QFQNYJPSWVVVPI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.44
Topological Polar Surface Area	35.53
Polarizability	23.8
Ring Count	1
Rotatable Bond Count	5

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