AG0093ZU

107757-06-2 | 3-Methyl-5-nitrobenzaldehyde

AG0093ZU

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CAS Number	107757-06-2
Catalog Number	AG0093ZU(AGN-PC-00NUKN)
Chemical Name	3-Methyl-5-nitrobenzaldehyde
IUPAC Name	3-methyl-5-nitrobenzaldehyde
InChI	InChI=1S/C8H7NO3/c1-6-2-7(5-10)4-8(3-6)9(11)12/h2-5H,1H3
InChI Key	JXJUTTOJJMSVBB-UHFFFAOYSA-N
MDL Number	MFCD18399644
Molecular Formula	C8H7NO3
Molecular Weight	165.1461
SMILES	O=CC1=CC([N+]([O-])=O)=CC(C)=C1
Synonyms	3-Methyl-5-nitrobenzaldehyde, 107757-06-2, SCHEMBL3064197, DTXSID20548459, JXJUTTOJJMSVBB-UHFFFAOYSA-N, MFCD18399644, ZINC34143078, AKOS016000844, AB75685, FCH1164806, AJ-87147, AS-46318, AX8250781, FT-0762106,

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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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