AG00EBCT

5858-28-6 | 5-Methyl-2-nitrobenzaldehyde

AG00EBCT

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CAS Number	5858-28-6
Catalog Number	AG00EBCT(AGN-PC-00GIVW)
Chemical Name	5-Methyl-2-nitrobenzaldehyde
IUPAC Name	5-methyl-2-nitrobenzaldehyde
InChI	InChI=1S/C8H7NO3/c1-6-2-3-8(9(11)12)7(4-6)5-10/h2-5H,1H3
InChI Key	SKQIOXLCRQVPAT-UHFFFAOYSA-N
MDL Number	MFCD08703362
Molecular Formula	C8H7NO3
Molecular Weight	165.1461
SMILES	O=CC1=CC(C)=CC=C1[N+]([O-])=O
Synonyms	5-Methyl-2-nitrobenzaldehyde, 5858-28-6, 5-methyl-2-nitro-benzaldehyde, 2-Nitro-5-methylbenzaldehyde, Benzaldehyde, 5-ethyl-2-itro-, Benzaldehyde, 5-methyl-2-nitro-, 3-formyl-p-nitrotoluene, 3-Methyl-6-nitrobenzaldehyde, SCHEMBL371170, CTK1G7995, DTXSID30473041, SKQIOXLCRQVPAT-UHFFFAOYSA-N, 8690AB, MFCD08703362, ZINC36448034, AKOS006229324, AKOS015996120, AB48476, KS-00000F79, AJ-92879, AK-35761, DS-12498, SC-50768, m-Tolualdehyde, 6-nitro-, C8H7NO3, CID11805110, 5-Methyl-2-nitro-benzaldehyde, 98% - 1G 1g,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.043g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	165.148g/mol
Monoisotopic Mass	165.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	62.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number