2-(bromomethyl)-2-butylhexanoic acid

2-(bromomethyl)-2-butylhexanoic acid

CAS: 100048-86-0

Formula: C11H21BrO2

SMILES: CCCCC(CBr)(CCCC)C(O)=O

IUPAC: 2-(bromomethyl)-2-butylhexanoic acid

InChI: InChI=1S/C11H21BrO2/c1-3-5-7-11(9-12,10(13)14)8-6-4-2/h3-9H2,1-2H3,(H,13,14)

Composition: C (49.82%), H (7.98%), Br (30.13%), O (12.07%)

Molar Mass: 265.191

Atom Count: 35

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	264.072493
Formal Charge	0
FSP3	0.91
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	OBRLODQYQTZCSP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.76
Topological Polar Surface Area	37.3
Polarizability	24.22
Ring Count	0
Rotatable Bond Count	8

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