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Home > Nitro Compounds > 56406-50-9
56406-50-9 | 3-Nitrobenzamidine hydrochloride
CAS No: 56406-50-9 Catalog No: AG003JT4 MDL No:MFCD00012844
Product Description
Catalog Number:
AG003JT4
Chemical Name:
3-Nitrobenzamidine hydrochloride
CAS Number:
56406-50-9
Molecular Formula:
C7H8ClN3O2
Molecular Weight:
201.6103
MDL Number:
MFCD00012844
IUPAC Name:
3-nitrobenzenecarboximidamide;hydrochloride
InChI:
InChI=1S/C7H7N3O2.ClH/c8-7(9)5-2-1-3-6(4-5)10(11)12;/h1-4H,(H3,8,9);1H
InChI Key:
DKNQVJWYIUJWNC-UHFFFAOYSA-N
SMILES:
NC(=N)c1cccc(c1)[N+](=O)[O-].Cl
EC Number:
260-159-9
NSC Number:
310196
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
201.61g/mol
Monoisotopic Mass:
201.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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