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Home > Nitro Compounds > 923224-88-8
923224-88-8 | 2-butyl-4-nitro-1,3-benzoxazole
CAS No: 923224-88-8 Catalog No: AG00IQ0U MDL No:MFCD08064697
Product Description
Catalog Number:
AG00IQ0U
Chemical Name:
2-butyl-4-nitro-1,3-benzoxazole
CAS Number:
923224-88-8
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
MDL Number:
MFCD08064697
IUPAC Name:
2-butyl-4-nitro-1,3-benzoxazole
InChI:
InChI=1S/C11H12N2O3/c1-2-3-7-10-12-11-8(13(14)15)5-4-6-9(11)16-10/h4-6H,2-3,7H2,1H3
InChI Key:
RRIITKVVCDQJHN-UHFFFAOYSA-N
SMILES:
CCCCc1oc2c(n1)c(ccc2)[N+](=O)[O-]
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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