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Home > Nitro Compounds > 886360-98-1
886360-98-1 | 2-butyl-5-nitro-1,3-benzoxazole
CAS No: 886360-98-1 Catalog No: AG00IF9D MDL No:MFCD05663810
Product Description
Catalog Number:
AG00IF9D
Chemical Name:
2-butyl-5-nitro-1,3-benzoxazole
CAS Number:
886360-98-1
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
MDL Number:
MFCD05663810
IUPAC Name:
2-butyl-5-nitro-1,3-benzoxazole
InChI:
InChI=1S/C11H12N2O3/c1-2-3-4-11-12-9-7-8(13(14)15)5-6-10(9)16-11/h5-7H,2-4H2,1H3
InChI Key:
QBDPKRMYTYRFBB-UHFFFAOYSA-N
SMILES:
CCCCc1nc2c(o1)ccc(c2)[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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