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302912-33-0 | Benzene, 4-bromo-1-ethynyl-2-fluoro-
CAS No: 302912-33-0 Catalog No: AG002ZI8 MDL No:MFCD02683523
Product Description
Catalog Number:
AG002ZI8
Chemical Name:
Benzene, 4-bromo-1-ethynyl-2-fluoro-
CAS Number:
302912-33-0
Molecular Formula:
C8H4BrF
Molecular Weight:
199.0198
MDL Number:
MFCD02683523
IUPAC Name:
4-bromo-1-ethynyl-2-fluorobenzene
InChI:
InChI=1S/C8H4BrF/c1-2-6-3-4-7(9)5-8(6)10/h1,3-5H
InChI Key:
ZSZIITDRDIHDAY-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cc1F)Br
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.948g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.022g/mol
Monoisotopic Mass:
197.948g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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