2-bromo-1,1,3-trimethoxypropane

2-bromo-1,1,3-trimethoxypropane

CAS: 759-97-7

Formula: C6H13BrO3

SMILES: COCC(Br)C(OC)OC

IUPAC: 2-bromo-1,1,3-trimethoxypropane

InChI: InChI=1/C6H13BrO3/c1-8-4-5(7)6(9-2)10-3/h5-6H,4H2,1-3H3

Composition: C (33.82%), H (6.15%), Br (37.50%), O (22.53%)

Molar Mass: 213.071

Atom Count: 23

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 212.004807
Formal Charge 0
FSP3 1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey GAFSXURUCDQGFB-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.83
Topological Polar Surface Area 27.69
Polarizability 16.8
Ring Count 0
Rotatable Bond Count 5

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