3-Methyl-4-nitrobenzhydrazide

CAT: 0127-OR27529-01Size: 1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR27529-01Size:1 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

72198-83-5

Synonyms

3-Methyl-4-nitrobenzene-1-carbohydrazide

MDL Number

MFCD00220059

Purity

Smiles

Cc1cc(ccc1[N+](=O)[O-])C(=O)NN

Storage Conditions

Store at 2-8°C

Chemical Information

3-Methyl-4-nitrobenzhydrazide

3-methyl-4-nitrobenzene-1-carbohydrazide is a C-nitro compound.

CAS Number	72198-83-5
PubChem CID	3308571
IUPAC Name	3-methyl-4-nitrobenzohydrazide
Molecular Formula	C8H9N3O3
Molecular Weight	195.18
XLogP	1.4
Topological Polar Surface Area	101
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	238

SMILES

CC1=C(C=CC(=C1)C(=O)NN)[N+](=O)[O-]

InChI

InChI=1S/C8H9N3O3/c1-5-4-6(8(12)10-9)2-3-7(5)11(13)14/h2-4H,9H2,1H3,(H,10,12)

InChIKey

SMRIMKXHORAHJR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 72198-83-5

CID: 3308571

Formula: C8H9N3O3

MW: 195.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	195.18
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	195.06439116
Monoisotopic Mass	195.06439116
Topological Polar Surface Area	101 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	238
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

Catalog	Name
OR110221-01	2-Methyl-3-nitrobenzhydrazide
OR1021529	3-Methyl-2-nitrobenzhydrazide
OR110966-01	4-Nitrobenzhydrazide
OR110308-01	3-Nitrobenzhydrazide
OR1021259	2-Chloro-4-nitrobenzhydrazide
OR21436	2-Amino-5-nitrobenzhydrazide
OR30249-01	Methyl 3-methyl-4-nitrobenzoate
OR4811	Methyl 4-methyl-3-benzyloxybenzoate
OR110363	Methyl 4-methyl-3-nitrobenzoate
OR60032	Methyl 4-{4-[ (4-methoxybenzoyl) amino]-3-nitrophenyl}-3-methyl-4-oxobutanoate