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149526-84-1 | Thiourea, N-(3-azido-4-chlorophenyl)-
CAS No: 149526-84-1 Catalog No: AG001LSY MDL No:
Product Description
Catalog Number:
AG001LSY
Chemical Name:
Thiourea, N-(3-azido-4-chlorophenyl)-
CAS Number:
149526-84-1
Molecular Formula:
C7H6ClN5S
Molecular Weight:
227.6740
IUPAC Name:
(3-azido-4-chlorophenyl)thiourea
InChI:
InChI=1S/C7H6ClN5S/c8-5-2-1-4(11-7(9)14)3-6(5)12-13-10/h1-3H,(H3,9,11,14)
InChI Key:
IMSSJBNLTXWNID-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1cc(ccc1Cl)NC(=S)N
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.003g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.67g/mol
Monoisotopic Mass:
227.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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