4-Hydrazinylbenzonitrile

CAT: 0127-OR94136-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR94136-01Size:100 mg

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CAS Number

17672-27-4

MDL Number

MFCD02663085

Purity

95%

Smiles

C1=C(C=CC(=C1)NN)C#N

Chemical Information

4-Hydrazinobenzonitrile

CAS Number	17672-27-4
PubChem CID	583784
IUPAC Name	4-hydrazinylbenzonitrile
Molecular Formula	C7H7N3
Molecular Weight	133.15
XLogP	1.2
Topological Polar Surface Area	61.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	138

SMILES

C1=CC(=CC=C1C#N)NN

InChI

InChI=1S/C7H7N3/c8-5-6-1-3-7(10-9)4-2-6/h1-4,10H,9H2

InChIKey

DZUUSHCOMPROCJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17672-27-4

CID: 583784

Formula: C7H7N3

MW: 133.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	133.15
XLogP3	1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	133.063997236
Monoisotopic Mass	133.063997236
Topological Polar Surface Area	61.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	138
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
OR92532-01	2-Hydrazinylbenzonitrile hydrochloride
OR525639	3-Chloro-5-hydrazinylbenzonitrile hydrochloride
OR7756-01	4-Hydrazinobenzonitrile hydrochloride
OR29065-01	3-Chloro-4-hydrazinobenzonitrile
PC49169	2,5-Difluoro-4-hydrazinobenzonitrile
OR3388-01	3-Hydrazinobenzonitrile
OR916286-01	2-Hydrazinobenzonitrile
PC5215	4,4,4,4',4',4'-Hexafluorovaline hydrochloride
PC6412	4,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
OR1011273-01	4,4',4'',4'''-Methanetetrayltetrabenzaldehyde

Catalog	Name
431508-01	4-Chloro-2-hydrazinylbenzonitrile
NKA84581-01	2-chloro-4-hydrazinylbenzonitrile
NFC06589-01	4-Bromo-3-hydrazinylbenzonitrile
JH645798	3-Hydrazinylbenzonitrile
HY-W099255-01	Ethyl 4,4,4,4',4',4'-hexafluoro-DL-valinate
25725310-01	4,4'-Sulfonyldiphenol (4,4'-Dihydroxydiphenylsulfone)
JXB85075-01	4,4,4-Trifluorobutanethioamide
433631-01	4,4',4''-Methanetriyltrianiline
sc-262190	4,4,4-Trifluorobutyraldehyde
sc-476168	4,4',4''-Trihydroxytriphenylmethane