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137668-39-4 | 2-Triazene-1-carboxamide, 3-(2-chloroethyl)-N-methyl-1-(phenylmethyl)-
CAS No: 137668-39-4 Catalog No: AG0013P2 MDL No:
Product Description
Catalog Number:
AG0013P2
Chemical Name:
2-Triazene-1-carboxamide, 3-(2-chloroethyl)-N-methyl-1-(phenylmethyl)-
CAS Number:
137668-39-4
Molecular Formula:
C11H15ClN4O
Molecular Weight:
254.7160
IUPAC Name:
1-benzyl-1-(2-chloroethyldiazenyl)-3-methylurea
InChI:
InChI=1S/C11H15ClN4O/c1-13-11(17)16(15-14-8-7-12)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,17)
InChI Key:
ZMYGSWYQYMTZAF-UHFFFAOYSA-N
SMILES:
ClCCN=NN(C(=O)NC)Cc1ccccc1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.093g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.718g/mol
Monoisotopic Mass:
254.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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