4-Chloro-3,5-dinitrobenzonitrile

CAT: 0926-FC70294-01Size: 2 gDry Ice: NoHazardous: No

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CAT#:0926-FC70294-01Size:2 g

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CAS Number

1930-72-9

MDL Number

MFCD00007067

Smiles

C1=C (C=C (C (=C1[N+] (=O) [O-]) Cl) [N+] (=O) [O-]) C#N

Molecular Formula

C7H2ClN3O4

Molecular Weight

227.56 g/mol

Controlled

Chemical Information

4-Chloro-3,5-dinitrobenzonitrile

CAS Number	1930-72-9
PubChem CID	16008
IUPAC Name	4-chloro-3,5-dinitrobenzonitrile
Molecular Formula	C7H2ClN3O4
Molecular Weight	227.56
XLogP	2.7
Topological Polar Surface Area	115
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	15
Formal Charge	0
Complexity	303

SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C#N

InChI

InChI=1S/C7H2ClN3O4/c8-7-5(10(12)13)1-4(3-9)2-6(7)11(14)15/h1-2H

InChIKey

SCGDEDHSPCXGEC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1930-72-9

CID: 16008

Formula: C7H2ClN3O4

MW: 227.56

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	227.56
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	226.9733832
Monoisotopic Mass	226.9733832
Topological Polar Surface Area	115 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	303
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
EAA11035-01	3,5-Dinitrobenzonitrile
FD64866-01	3,4-Dinitrobenzonitrile
FM131416	2-Methyl-3,5-dinitrobenzonitrile
FD70203-01	2,6-Dinitrobenzonitrile
TAA26868	3-Chloro-4,5-dimethoxybenzaldehyde
QDA00654-01	3-Chloro-4,5-dimethoxyaniline
GAC35285-01	4'-Chloro-3',5'-difluoroacetophenone
BJA41921-01	4-Chloro-3,5-dimethoxyaniline
BCA71961-01	4-chloro-3,5-dimethylaniline
FC184495	4-Chloro-3,5-dihydroxybenzaldehyde

Catalog	Name
sc-232573	4-Chloro-3,5-dinitrobenzonitrile
C11720-01	4-Chloro-3,5-dinitrobenzonitrile 97%
sc-232144	3,5-Dinitrobenzonitrile
sc-276486	3,4-Dinitrobenzonitrile
OR471101	4-Chloro-2,6-dinitrobenzonitrile
D14940-01	2,4-Dichloro-3,5-Dinitrobenzonitrile
D46740-01	3,5-Dinitrobenzonitrile 97%
TRC-M342913-5MG	2-methyl-3,5-dinitrobenzonitrile
OR5158	2,4-Dinitrobenzonitrile
420954-01	2,6-Dinitrobenzonitrile