AG0028P0

203179-02-6 | 3-CYANO-4-NITROBENZALDEHYDE

AG0028P0

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CAS Number	203179-02-6
Catalog Number	AG0028P0(AGN-PC-0052PG)
Chemical Name	3-CYANO-4-NITROBENZALDEHYDE
IUPAC Name	5-formyl-2-nitrobenzonitrile
InChI	InChI=1S/C8H4N2O3/c9-4-7-3-6(5-11)1-2-8(7)10(12)13/h1-3,5H
InChI Key	PAFVJMRUNSXWEM-UHFFFAOYSA-N
MDL Number	MFCD28968079
Molecular Formula	C8H4N2O3
Molecular Weight	176.1290
SMILES	C1=CC(=C(C=C1C=O)C#N)[N+](=O)[O-]
Synonyms	3-Cyano-4-nitrobenzaldehyde, 203179-02-6, 5-Formyl-2-nitrobenzonitrile, Benzonitrile, 5-formyl-2-nitro-, MFCD28968079, ZINC138013284, AS-46369, 5-formyl-2-nitro-benzonitrile, CID11240774,

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	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P261-P280-P305+P351+P338-P304+P340-P405
UN Code

Certificate of Analysis

Lot Number