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Home > Nitro Compounds > 5461-83-6
5461-83-6 | 1-nitro-3-phenylguanidine
CAS No: 5461-83-6 Catalog No: AG01EWF3 MDL No:
Product Description
Catalog Number:
AG01EWF3
Chemical Name:
1-nitro-3-phenylguanidine
CAS Number:
5461-83-6
Molecular Formula:
C7H8N4O2
Molecular Weight:
180.1640
IUPAC Name:
1-nitro-2-phenylguanidine
InChI:
InChI=1S/C7H8N4O2/c8-7(10-11(12)13)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
InChI Key:
HUDUGAFSLWBJOZ-UHFFFAOYSA-N
SMILES:
N=C(N[N+](=O)[O-])Nc1ccccc1
NSC Number:
25071
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.065g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.167g/mol
Monoisotopic Mass:
180.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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