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Home > Nitro Compounds > 886360-96-9
886360-96-9 | 2-BUTYL-6-NITRO-1,3-BENZOXAZOLE
CAS No: 886360-96-9 Catalog No: AG00H203 MDL No:MFCD05663809
Product Description
Catalog Number:
AG00H203
Chemical Name:
2-BUTYL-6-NITRO-1,3-BENZOXAZOLE
CAS Number:
886360-96-9
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
MDL Number:
MFCD05663809
IUPAC Name:
2-butyl-6-nitro-1,3-benzoxazole
InChI:
InChI=1S/C11H12N2O3/c1-2-3-4-11-12-9-6-5-8(13(14)15)7-10(9)16-11/h5-7H,2-4H2,1H3
InChI Key:
ZEVHKNJYRVOCBY-UHFFFAOYSA-N
SMILES:
CCCCc1nc2c(o1)cc(cc2)[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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