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101831-36-1 | Benzeneacetonitrile, 2-chloro-α-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-
CAS No: 101831-36-1 Catalog No: AG0005OJ MDL No:
Product Description
Catalog Number:
AG0005OJ
Chemical Name:
Benzeneacetonitrile, 2-chloro-α-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-
CAS Number:
101831-36-1
Molecular Formula:
C17H10Cl2N4O2
Molecular Weight:
373.1929
IUPAC Name:
2-[2-chloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]-2-(4-chlorophenyl)acetonitrile
InChI:
InChI=1S/C17H10Cl2N4O2/c18-11-3-1-10(2-4-11)14(8-20)13-6-5-12(7-15(13)19)23-17(25)22-16(24)9-21-23/h1-7,9,14H,(H,22,24,25)
InChI Key:
QUUTUGLQZLNABV-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cc1Cl)n1ncc(=O)[nH]c1=O)c1ccc(cc1)Cl
Properties
Complexity:
609
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.018g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
373.193g/mol
Monoisotopic Mass:
372.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Efficacy of selected coccidiostats in sandhill cranes (Grus canadensis) following challenge. | Journal of zoo and wildlife medicine : official publication of the American Association of Zoo Veterinarians 20050901 |
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