AG00H5VG

90178-78-2 | 4-Formyl-3-nitrobenzonitrile

AG00H5VG

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CAS Number	90178-78-2
Catalog Number	AG00H5VG(AGN-PC-00LMVC)
Chemical Name	4-Formyl-3-nitrobenzonitrile
IUPAC Name	4-formyl-3-nitrobenzonitrile
InChI	InChI=1S/C8H4N2O3/c9-4-6-1-2-7(5-11)8(3-6)10(12)13/h1-3,5H
InChI Key	KNKVNTDAQHBEAW-UHFFFAOYSA-N
MDL Number	MFCD10696869
Molecular Formula	C8H4N2O3
Molecular Weight	176.1290
SMILES	N#CC1=CC=C(C=O)C([N+]([O-])=O)=C1
Synonyms	4-formyl-3-nitrobenzonitrile, 90178-78-2, AK-89094, BENZONITRILE, 4-FORMYL-3-NITRO-, 4-cyano-2-nitrobenzaldehyde, SCHEMBL125038, 4-formyl-3-nitro-benzonitrile, CTK8C1018, DTXSID70531098, KNKVNTDAQHBEAW-UHFFFAOYSA-N, 4989AC, ANW-65732, FCH881655, MFCD10696869, ZINC39432008, AKOS006303390, AB58394, KS-00000I86, CJ-19981, AJ-100300, AX8165372, ST2418383, TC-154477, 4CH-003539, AM20041361, FT-0699424, C8H4N2O3,

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 statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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