Home Halogens 3-chloro-5-nitro-1,2-benzoxazole

3-chloro-5-nitro-1,2-benzoxazole

CAS No.:
16302-63-9
Catalog Number:
AG019ZAM
Molecular Formula:
C7H3ClN2O3
Molecular Weight:
198.5633
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Product Description
Catalog Number:
AG019ZAM
Chemical Name:
3-chloro-5-nitro-1,2-benzoxazole
CAS Number:
16302-63-9
Molecular Formula:
C7H3ClN2O3
Molecular Weight:
198.5633
MDL Number:
MFCD26132308
IUPAC Name:
3-chloro-5-nitro-1,2-benzoxazole
InChI:
InChI=1S/C7H3ClN2O3/c8-7-5-3-4(10(11)12)1-2-6(5)13-9-7/h1-3H
InChI Key:
MXCYFQHELALNNO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2c(Cl)noc2cc1
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