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Home > Nitro Compounds > 27761-26-8
27761-26-8 | Benzenediazonium, 2-methoxy-4-nitro-
CAS No: 27761-26-8 Catalog No: AG002UOR MDL No:MFCD00167049
Product Description
Catalog Number:
AG002UOR
Chemical Name:
Benzenediazonium, 2-methoxy-4-nitro-
CAS Number:
27761-26-8
Molecular Formula:
C7H6N3O3+
Molecular Weight:
180.1408
MDL Number:
MFCD00167049
IUPAC Name:
2-methoxy-4-nitrobenzenediazonium
InChI:
InChI=1S/C7H6N3O3/c1-13-7-4-5(10(11)12)2-3-6(7)9-8/h2-4H,1H3/q+1
InChI Key:
QCONCWPZAHEPSP-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1[N+]#N)[N+](=O)[O-]
EC Number:
248-642-2
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.041g/mol
Formal Charge:
1
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.143g/mol
Monoisotopic Mass:
180.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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