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18344-15-5 | 1-Propyne, 1-bromo-3,3-diethoxy-
CAS No: 18344-15-5 Catalog No: AG0027L1 MDL No:
Product Description
Catalog Number:
AG0027L1
Chemical Name:
1-Propyne, 1-bromo-3,3-diethoxy-
CAS Number:
18344-15-5
Molecular Formula:
C7H11BrO2
Molecular Weight:
207.0650
IUPAC Name:
1-bromo-3,3-diethoxyprop-1-yne
InChI:
InChI=1S/C7H11BrO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-4H2,1-2H3
InChI Key:
YWWWAHPCGCKVQN-UHFFFAOYSA-N
SMILES:
CCOC(C#CBr)OCC
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.994g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.067g/mol
Monoisotopic Mass:
205.994g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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