AG007RLN

18515-67-8 | 3-Methyl-4-nitrobenzaldehyde

AG007RLN

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CAS Number	18515-67-8
Catalog Number	AG007RLN(AGN-PC-0NHGBI)
Chemical Name	3-Methyl-4-nitrobenzaldehyde
IUPAC Name	3-methyl-4-nitrobenzaldehyde
InChI	InChI=1S/C8H7NO3/c1-6-4-7(5-10)2-3-8(6)9(11)12/h2-5H,1H3
InChI Key	WHJDQIWWIJARMK-UHFFFAOYSA-N
MDL Number	MFCD08445621
Molecular Formula	C8H7NO3
Molecular Weight	165.1461
SMILES	CC1=C(C=CC(=C1)C=O)[N+](=O)[O-]
Synonyms	3-Methyl-4-nitrobenzaldehyde, 18515-67-8, 3-methyl-4-nitro-benzaldehyde, Benzaldehyde, 3-ethyl-4-itro-, Benzaldehyde,3-methyl-4-nitro-, Benzaldehyde, 3-methyl-4-nitro-, PubChem17018, 5-Formyl-2-nitrotoluene, 4-Formyl-2-methylnitrobenzene, SCHEMBL1826371, CTK4D8940, DTXSID80458267, WHJDQIWWIJARMK-UHFFFAOYSA-N, ACT00838, BCP20271, KS-00002A9E, ANW-51397, CL8333, MFCD08445621, ZINC16123578, AKOS015842350, AC-4211, AM84049, CS-W019266, DS-0465, PS-4728, RP02405, AJ-68230, AK-25530, AN-12194, BC219820, BR-25530, CJ-15303, SC-45663, AB0020678, DB-006490, ST2410782, TC-030109, 4CH-013339, FT-0081557, FT-0600369, V1651, S-5342, W-206332, I14-36783, C8H7NO3, CID11194528, A4105,

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	2.3

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