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Home > Nitro Compounds > 478553-83-2
478553-83-2 | Benzoxazole, 2-methyl-4-nitro-
CAS No: 478553-83-2 Catalog No: AG00I8PP MDL No:MFCD08064696
Product Description
Catalog Number:
AG00I8PP
Chemical Name:
Benzoxazole, 2-methyl-4-nitro-
CAS Number:
478553-83-2
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
MDL Number:
MFCD08064696
IUPAC Name:
2-methyl-4-nitro-1,3-benzoxazole
InChI:
InChI=1S/C8H6N2O3/c1-5-9-8-6(10(11)12)3-2-4-7(8)13-5/h2-4H,1H3
InChI Key:
XREFCVYBUYJUNP-UHFFFAOYSA-N
SMILES:
Cc1oc2c(n1)c(ccc2)[N+](=O)[O-]
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.147g/mol
Monoisotopic Mass:
178.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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