Home Halogens Oxazole, 4-(chloromethyl)-2-(4-nitrophenyl)-

Oxazole, 4-(chloromethyl)-2-(4-nitrophenyl)-

CAS No.:
39867-96-4
Catalog Number:
AG0076VT
Molecular Formula:
C10H7ClN2O3
Molecular Weight:
238.6272
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Product Description
Catalog Number:
AG0076VT
Chemical Name:
Oxazole, 4-(chloromethyl)-2-(4-nitrophenyl)-
CAS Number:
39867-96-4
Molecular Formula:
C10H7ClN2O3
Molecular Weight:
238.6272
MDL Number:
MFCD11845031
IUPAC Name:
4-(chloromethyl)-2-(4-nitrophenyl)-1,3-oxazole
InChI:
InChI=1S/C10H7ClN2O3/c11-5-8-6-16-10(12-8)7-1-3-9(4-2-7)13(14)15/h1-4,6H,5H2
InChI Key:
JDNZYRXCPGOUJI-UHFFFAOYSA-N
SMILES:
ClCc1coc(n1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.015g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.627g/mol
Monoisotopic Mass:
238.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties