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203741-07-5 | 2-Oxazolamine, N-(4-chloro-3-nitrophenyl)-4,5-dihydro-
CAS No: 203741-07-5 Catalog No: AG00293E MDL No:
Product Description
Catalog Number:
AG00293E
Chemical Name:
2-Oxazolamine, N-(4-chloro-3-nitrophenyl)-4,5-dihydro-
CAS Number:
203741-07-5
Molecular Formula:
C9H8ClN3O3
Molecular Weight:
241.6311
IUPAC Name:
N-(4-chloro-3-nitrophenyl)-4,5-dihydro-1,3-oxazol-2-amine
InChI:
InChI=1S/C9H8ClN3O3/c10-7-2-1-6(5-8(7)13(14)15)12-9-11-3-4-16-9/h1-2,5H,3-4H2,(H,11,12)
InChI Key:
JNMXHBXEKMSTDK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1Cl)NC1=NCCO1
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.025g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.631g/mol
Monoisotopic Mass:
241.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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