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17592-40-4 | 1-Propene, 2-bromo-3,3-diethoxy-
CAS No: 17592-40-4 Catalog No: AG0021B1 MDL No:
Product Description
Catalog Number:
AG0021B1
Chemical Name:
1-Propene, 2-bromo-3,3-diethoxy-
CAS Number:
17592-40-4
Molecular Formula:
C7H13BrO2
Molecular Weight:
209.0809
IUPAC Name:
2-bromo-3,3-diethoxyprop-1-ene
InChI:
InChI=1S/C7H13BrO2/c1-4-9-7(6(3)8)10-5-2/h7H,3-5H2,1-2H3
InChI Key:
VQLKZHRHQPEXFT-UHFFFAOYSA-N
SMILES:
CCOC(C(=C)Br)OCC
Properties
Complexity:
97.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.01g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.083g/mol
Monoisotopic Mass:
208.01g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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