methyl 4-(3-bromopropoxy)benzoate

methyl 4-(3-bromopropoxy)benzoate

CAS: 135998-88-8

Formula: C11H13BrO3

SMILES: COC(=O)C1=CC=C(OCCCBr)C=C1

IUPAC: methyl 4-(3-bromopropoxy)benzoate

InChI: InChI=1S/C11H13BrO3/c1-14-11(13)9-3-5-10(6-4-9)15-8-2-7-12/h3-6H,2,7-8H2,1H3

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	UXQAWAAALKEOIM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.74
Topological Polar Surface Area	35.53
Polarizability	23.71
Ring Count	1
Rotatable Bond Count	6

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