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102405-44-7 | Benzoxazole, 5-chloro-6-nitro-2-phenyl-
CAS No: 102405-44-7 Catalog No: AG0007E2 MDL No:
Product Description
Catalog Number:
AG0007E2
Chemical Name:
Benzoxazole, 5-chloro-6-nitro-2-phenyl-
CAS Number:
102405-44-7
Molecular Formula:
C13H7ClN2O3
Molecular Weight:
274.6593
IUPAC Name:
5-chloro-6-nitro-2-phenyl-1,3-benzoxazole
InChI:
InChI=1S/C13H7ClN2O3/c14-9-6-10-12(7-11(9)16(17)18)19-13(15-10)8-4-2-1-3-5-8/h1-7H
InChI Key:
ACLKLNHLQVFVSF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2oc(nc2cc1Cl)c1ccccc1
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.015g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.66g/mol
Monoisotopic Mass:
274.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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