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868-36-0 | Butane, 2-bromo-1,1-dimethoxy-
CAS No: 868-36-0 Catalog No: AG004IQT MDL No:MFCD19707392
Product Description
Catalog Number:
AG004IQT
Chemical Name:
Butane, 2-bromo-1,1-dimethoxy-
CAS Number:
868-36-0
Molecular Formula:
C6H13BrO2
Molecular Weight:
197.0702
MDL Number:
MFCD19707392
IUPAC Name:
2-bromo-1,1-dimethoxybutane
InChI:
InChI=1S/C6H13BrO2/c1-4-5(7)6(8-2)9-3/h5-6H,4H2,1-3H3
InChI Key:
OXJUWNGIXKTRMK-UHFFFAOYSA-N
SMILES:
CCC(C(OC)OC)Br
Properties
Complexity:
64.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.01g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.072g/mol
Monoisotopic Mass:
196.01g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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