Home Halogens 1,2-Benzisoxazole, 3-chloro-7-nitro-

1,2-Benzisoxazole, 3-chloro-7-nitro-

CAS No.:
178747-55-2
Catalog Number:
AG0026AE
Molecular Formula:
C7H3ClN2O3
Molecular Weight:
198.5633
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Product Description
Catalog Number:
AG0026AE
Chemical Name:
1,2-Benzisoxazole, 3-chloro-7-nitro-
CAS Number:
178747-55-2
Molecular Formula:
C7H3ClN2O3
Molecular Weight:
198.5633
MDL Number:
MFCD26141868
IUPAC Name:
3-chloro-7-nitro-1,2-benzoxazole
InChI:
InChI=1S/C7H3ClN2O3/c8-7-4-2-1-3-5(10(11)12)6(4)13-9-7/h1-3H
InChI Key:
QYZFVJOFHSZWDM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1onc2Cl
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.983g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.562g/mol
Monoisotopic Mass:
197.983g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties