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5034-77-5 | 1H-Imidazole-4-carboxamide, 5-[3,3-bis(2-chloroethyl)-1-triazenyl]-
CAS No: 5034-77-5 Catalog No: AG00DI7A MDL No:
Product Description
Catalog Number:
AG00DI7A
Chemical Name:
1H-Imidazole-4-carboxamide, 5-[3,3-bis(2-chloroethyl)-1-triazenyl]-
CAS Number:
5034-77-5
IUPAC Name:
4-[bis(2-chloroethyl)aminodiazenyl]-1H-imidazole-5-carboxamide
InChI:
InChI=1S/C8H12Cl2N6O/c9-1-3-16(4-2-10)15-14-8-6(7(11)17)12-5-13-8/h5H,1-4H2,(H2,11,17)(H,12,13)
InChI Key:
XWRSGLHADOYUFN-UHFFFAOYSA-N
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.045g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.125g/mol
Monoisotopic Mass:
278.045g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
99.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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