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114197-39-6 | Benzoyl azide, 4-chloro-2-nitro-
CAS No: 114197-39-6 Catalog No: AG000ARL MDL No:
Product Description
Catalog Number:
AG000ARL
Chemical Name:
Benzoyl azide, 4-chloro-2-nitro-
CAS Number:
114197-39-6
Molecular Formula:
C7H3ClN4O3
Molecular Weight:
226.5767
IUPAC Name:
4-chloro-2-nitrobenzoyl azide
InChI:
InChI=1S/C7H3ClN4O3/c8-4-1-2-5(7(13)10-11-9)6(3-4)12(14)15/h1-3H
InChI Key:
BJJXUFZCYYGOMW-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NC(=O)c1ccc(cc1[N+](=O)[O-])Cl
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.989g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.576g/mol
Monoisotopic Mass:
225.989g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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