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849729-97-1 | Benzene, 1-(3-bromo-3,3-difluoro-1-propynyl)-2-methyl-
CAS No: 849729-97-1 Catalog No: AG005202 MDL No:
Product Description
Catalog Number:
AG005202
Chemical Name:
Benzene, 1-(3-bromo-3,3-difluoro-1-propynyl)-2-methyl-
CAS Number:
849729-97-1
Molecular Formula:
C10H7BrF2
Molecular Weight:
245.0634
IUPAC Name:
1-(3-bromo-3,3-difluoroprop-1-ynyl)-2-methylbenzene
InChI:
InChI=1S/C10H7BrF2/c1-8-4-2-3-5-9(8)6-7-10(11,12)13/h2-5H,1H3
InChI Key:
IBSJZJCWCOAASX-UHFFFAOYSA-N
SMILES:
Cc1ccccc1C#CC(Br)(F)F
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.97g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.067g/mol
Monoisotopic Mass:
243.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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