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Home > Nitro Compounds > 88540-88-9
88540-88-9 | Guanidine, [4-(4-nitrophenyl)-2-oxazolyl]-, hydrochloride
CAS No: 88540-88-9 Catalog No: AG004CRD MDL No:
Product Description
Catalog Number:
AG004CRD
Chemical Name:
Guanidine, [4-(4-nitrophenyl)-2-oxazolyl]-, hydrochloride
CAS Number:
88540-88-9
Molecular Formula:
C10H10ClN5O3
Molecular Weight:
283.6711
IUPAC Name:
2-[4-(4-nitrophenyl)-1,3-oxazol-2-yl]guanidine;hydrochloride
InChI:
InChI=1S/C10H9N5O3.ClH/c11-9(12)14-10-13-8(5-18-10)6-1-3-7(4-2-6)15(16)17;/h1-5H,(H4,11,12,13,14);1H
InChI Key:
RUCLQJBOMOOYNC-UHFFFAOYSA-N
SMILES:
NC(=N)Nc1occ(n1)c1ccc(cc1)[N+](=O)[O-].Cl
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.047g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
283.672g/mol
Monoisotopic Mass:
283.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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