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N-(2-methyl-5-nitrophenyl)guanidine; nitric acid

N-(2-methyl-5-nitrophenyl)guanidine; nitric acid

CAS: 152460-08-7

Formula: C8H11N5O5

SMILES: O[N+]([O-])=O.CC1=C(NC(N)=N)C=C(C=C1)[N+]([O-])=O

IUPAC: N-(2-methyl-5-nitrophenyl)guanidine; nitric acid

InChI: InChI=1S/C8H10N4O2.HNO3/c1-5-2-3-6(12(13)14)4-7(5)11-8(9)10;2-1(3)4/h2-4H,1H3,(H4,9,10,11);(H,2,3,4)

Composition: C (37.36%), H (4.31%), N (27.23%), O (31.10%)

Molar Mass: 257.206

Atom Count: 29

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 257.076018474
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey IINMQQJNRFDBMV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.55
Topological Polar Surface Area 105.04
Polarizability 18.85
Ring Count 1
Rotatable Bond Count 2

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