AG000B5A

Name: 3-Cyano-2-nitrobenzaldehyde
Brand: Angene Chemical
SKU: AG000B5A

114344-00-2 | 3-Cyano-2-nitrobenzaldehyde

AG000B5A

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CAS Number	114344-00-2
Catalog Number	AG000B5A(AGN-PC-02LLUY)
Chemical Name	3-Cyano-2-nitrobenzaldehyde
IUPAC Name	3-formyl-2-nitrobenzonitrile
InChI	InChI=1S/C8H4N2O3/c9-4-6-2-1-3-7(5-11)8(6)10(12)13/h1-3,5H
InChI Key	HUGYRUWVKNAJOH-UHFFFAOYSA-N
MDL Number	MFCD28053779
Molecular Formula	C8H4N2O3
Molecular Weight	176.1290
SMILES	[O-][N+](=O)C1=C(C=CC=C1C=O)C#N
Synonyms	3-cyano-2-nitrobenzaldehyde, 114344-00-2, 3-Formyl-2-nitrobenzonitrile, SCHEMBL9685477, Benzonitrile, 3-formyl-2-nitro-, HUGYRUWVKNAJOH-UHFFFAOYSA-N, MFCD28053779, ZINC98213429, AS-46253,

Complexity	262
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.022g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	176.131g/mol
Monoisotopic Mass	176.022g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	86.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited