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1017791-27-3 | 2-Chloro-5-(4H-1,2
CAS No: 1017791-27-3 Catalog No: AG01FOD7 MDL No:
Product Description
Catalog Number:
AG01FOD7
Chemical Name:
2-Chloro-5-(4H-1,2
CAS Number:
1017791-27-3
IUPAC Name:
2-chloro-5-(1,2,4-triazol-4-yl)aniline
InChI:
InChI=1S/C8H7ClN4/c9-7-2-1-6(3-8(7)10)13-4-11-12-5-13/h1-5H,10H2
InChI Key:
WOHQVUYHPVQGAQ-UHFFFAOYSA-N
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.622g/mol
Monoisotopic Mass:
194.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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