2-Amino-5-nitrobenzhydrazide

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CAS Number

52377-70-5

Synonyms

2-Amino-5-nitrobenzohydrazide

MDL Number

MFCD01312109

Smiles

NNC (=O) c1cc (ccc1N) [N+] (=O) [O-]

Chemical Information

2-Amino-5-nitrobenzohydrazide

CAS Number	52377-70-5
PubChem CID	3746674
IUPAC Name	2-amino-5-nitrobenzohydrazide
Molecular Formula	C7H8N4O3
Molecular Weight	196.16
XLogP	0.9
Topological Polar Surface Area	127
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	240

SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NN)N

InChI

InChI=1S/C7H8N4O3/c8-6-2-1-4(11(13)14)3-5(6)7(12)10-9/h1-3H,8-9H2,(H,10,12)

InChIKey

JANMRHYTBQZQFK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 52377-70-5

CID: 3746674

Formula: C7H8N4O3

MW: 196.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.16
XLogP3	0.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	196.05964013
Monoisotopic Mass	196.05964013
Topological Polar Surface Area	127 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	240
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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