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Home > Nitro Compounds > 885949-60-0
885949-60-0 | 6-NITRO-2-PROPYL-1,3-BENZOXAZOLE
CAS No: 885949-60-0 Catalog No: AG00H211 MDL No:MFCD06659548
Product Description
Catalog Number:
AG00H211
Chemical Name:
6-NITRO-2-PROPYL-1,3-BENZOXAZOLE
CAS Number:
885949-60-0
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
MDL Number:
MFCD06659548
IUPAC Name:
6-nitro-2-propyl-1,3-benzoxazole
InChI:
InChI=1S/C10H10N2O3/c1-2-3-10-11-8-5-4-7(12(13)14)6-9(8)15-10/h4-6H,2-3H2,1H3
InChI Key:
MQQPDIMYKKCHMW-UHFFFAOYSA-N
SMILES:
CCCc1nc2c(o1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.201g/mol
Monoisotopic Mass:
206.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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