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Home > Nitro Compounds > 35699-00-4
35699-00-4 | 5-nitro-1,3-benzoxazole-2-carbonitrile
CAS No: 35699-00-4 Catalog No: AG01B9XR MDL No:MFCD28663887
Product Description
Catalog Number:
AG01B9XR
Chemical Name:
5-nitro-1,3-benzoxazole-2-carbonitrile
CAS Number:
35699-00-4
MDL Number:
MFCD28663887
IUPAC Name:
5-nitro-1,3-benzoxazole-2-carbonitrile
InChI:
InChI=1S/C8H3N3O3/c9-4-8-10-6-3-5(11(12)13)1-2-7(6)14-8/h1-3H
InChI Key:
JXIXUYODNVUDNP-UHFFFAOYSA-N
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.017g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.13g/mol
Monoisotopic Mass:
189.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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