3-bromo-4-butoxybenzoic acid

3-bromo-4-butoxybenzoic acid

CAS: 450416-09-8

Formula: C11H13BrO3

SMILES: CCCCOC1=C(Br)C=C(C=C1)C(O)=O

IUPAC: 3-bromo-4-butoxybenzoic acid

InChI: InChI=1S/C11H13BrO3/c1-2-3-6-15-10-5-4-8(11(13)14)7-9(10)12/h4-5,7H,2-3,6H2,1H3,(H,13,14)

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	3
Hydrogen Bond Donor Count	1
InChIKey	BVBNHQFKCXIFBR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.27
Topological Polar Surface Area	46.53
Polarizability	23.58
Ring Count	1
Rotatable Bond Count	5

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