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Home > Nitro Compounds > 2851-07-2
2851-07-2 | Benzoxazole, 2-(methylthio)-5-nitro-
CAS No: 2851-07-2 Catalog No: AG002VL7 MDL No:
Product Description
Catalog Number:
AG002VL7
Chemical Name:
Benzoxazole, 2-(methylthio)-5-nitro-
CAS Number:
2851-07-2
Molecular Formula:
C8H6N2O3S
Molecular Weight:
210.2098
IUPAC Name:
2-methylsulfanyl-5-nitro-1,3-benzoxazole
InChI:
InChI=1S/C8H6N2O3S/c1-14-8-9-6-4-5(10(11)12)2-3-7(6)13-8/h2-4H,1H3
InChI Key:
HRELECNTXGCNGC-UHFFFAOYSA-N
SMILES:
CSc1oc2c(n1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.207g/mol
Monoisotopic Mass:
210.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
97.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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