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877080-72-3 | 2-Heptyne, 1-bromo-1,1-difluoro-6-methyl-
CAS No: 877080-72-3 Catalog No: AG004NC9 MDL No:
Product Description
Catalog Number:
AG004NC9
Chemical Name:
2-Heptyne, 1-bromo-1,1-difluoro-6-methyl-
CAS Number:
877080-72-3
Molecular Formula:
C8H11BrF2
Molecular Weight:
225.0737
IUPAC Name:
1-bromo-1,1-difluoro-6-methylhept-2-yne
InChI:
InChI=1S/C8H11BrF2/c1-7(2)5-3-4-6-8(9,10)11/h7H,3,5H2,1-2H3
InChI Key:
YHCUKIOLEAXJAK-UHFFFAOYSA-N
SMILES:
CC(CCC#CC(Br)(F)F)C
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.001g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.077g/mol
Monoisotopic Mass:
224.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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