AG007MWC

23876-12-2 | Benzaldehyde,2-methyl-3-nitro-

AG007MWC

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CAS Number	23876-12-2
Catalog Number	AG007MWC(AGN-PC-0JNX5Q)
Chemical Name	Benzaldehyde,2-methyl-3-nitro-
IUPAC Name	2-methyl-3-nitrobenzaldehyde
InChI	InChI=1S/C8H7NO3/c1-6-7(5-10)3-2-4-8(6)9(11)12/h2-5H,1H3
InChI Key	ATLCWADLCUCTLL-UHFFFAOYSA-N
MDL Number	MFCD07772901
Molecular Formula	C8H7NO3
Molecular Weight	165.1461
NSC Number	95687
SMILES	O=CC1=CC=CC([N+]([O-])=O)=C1C
Synonyms	2-methyl-3-nitrobenzaldehyde, 23876-12-2, Benzaldehyde,2-methyl-3-nitro-, NSC95687, AC1Q5AU0, NCIOpen2_001859, SCHEMBL309894, 2-methyl-3-nitro-benzaldehyde, CTK4F2473, DTXSID90294274, ATLCWADLCUCTLL-UHFFFAOYSA-N, Benzaldehyde, 2-methyl-3-nitro-, 3-formyl-2-methyl-1-nitrobenzene, AC1L6720, ZINC1621362, NSC-95687, AKOS006229334, AS06465, CM10852, SC-54466, A1-08510, AR-1E3570, CID262241, 23965-53-9,

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	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H317-H319
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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