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114424-80-5 | 2-Benzoxazolamine, 5-chloro-N-[(3-nitrophenyl)methylene]-
CAS No: 114424-80-5 Catalog No: AG000BB3 MDL No:
Product Description
Catalog Number:
AG000BB3
Chemical Name:
2-Benzoxazolamine, 5-chloro-N-[(3-nitrophenyl)methylene]-
CAS Number:
114424-80-5
Molecular Formula:
C14H8ClN3O3
Molecular Weight:
301.6846
IUPAC Name:
N-(5-chloro-1,3-benzoxazol-2-yl)-1-(3-nitrophenyl)methanimine
InChI:
InChI=1S/C14H8ClN3O3/c15-10-4-5-13-12(7-10)17-14(21-13)16-8-9-2-1-3-11(6-9)18(19)20/h1-8H
InChI Key:
CGOUTXROBYPCSU-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nc(o2)N=Cc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.025g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.686g/mol
Monoisotopic Mass:
301.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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