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Home > Nitro Compounds > 101495-34-5
101495-34-5 | 4-nitro-1,3-benzoxazole-2-thiol
CAS No: 101495-34-5 Catalog No: AG00JW61 MDL No:MFCD11844841
Product Description
Catalog Number:
AG00JW61
Chemical Name:
4-nitro-1,3-benzoxazole-2-thiol
CAS Number:
101495-34-5
Molecular Formula:
C7H4N2O3S
Molecular Weight:
196.1833
MDL Number:
MFCD11844841
IUPAC Name:
4-nitro-3H-1,3-benzoxazole-2-thione
InChI:
InChI=1S/C7H4N2O3S/c10-9(11)4-2-1-3-5-6(4)8-7(13)12-5/h1-3H,(H,8,13)
InChI Key:
ONAAWIBLPPKLTQ-UHFFFAOYSA-N
SMILES:
Sc1oc2c(n1)c(ccc2)[N+](=O)[O-]
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.994g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.18g/mol
Monoisotopic Mass:
195.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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