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1233521-10-2 | 4-Amino-2,5-difluorophenylacetylene
CAS No: 1233521-10-2 Catalog No: AG01FDU4 MDL No:
Product Description
Catalog Number:
AG01FDU4
Chemical Name:
4-Amino-2,5-difluorophenylacetylene
CAS Number:
1233521-10-2
Molecular Formula:
C8H5F2N
Molecular Weight:
153.1288
IUPAC Name:
4-ethynyl-2,5-difluoroaniline
InChI:
InChI=1S/C8H5F2N/c1-2-5-3-7(10)8(11)4-6(5)9/h1,3-4H,11H2
InChI Key:
GBMBFEDAMSUJLD-UHFFFAOYSA-N
SMILES:
C#Cc1cc(F)c(cc1F)N
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.039g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.132g/mol
Monoisotopic Mass:
153.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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