AG00CAIV

354512-22-4 | 3-Methoxy-5-nitrobenzaldehyde

AG00CAIV

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CAS Number	354512-22-4
Catalog Number	AG00CAIV(AGN-PC-0NHWE5)
Chemical Name	3-Methoxy-5-nitrobenzaldehyde
IUPAC Name	3-methoxy-5-nitrobenzaldehyde
InChI	InChI=1S/C8H7NO4/c1-13-8-3-6(5-10)2-7(4-8)9(11)12/h2-5H,1H3
InChI Key	XZFQLZGPDRXXHV-UHFFFAOYSA-N
MDL Number	MFCD09038015
Molecular Formula	C8H7NO4
Molecular Weight	181.1455
SMILES	COC=1C=C(C=O)C=C(C1)[N+](=O)[O-]
Synonyms	3-METHOXY-5-NITROBENZALDEHYDE, 354512-22-4, 3-methoxy-5-nitro-benzaldehyde, SCHEMBL15285783, CTK4H4572, Benzaldehyde,3-methoxy-5-nitro-, DTXSID70478292, XZFQLZGPDRXXHV-UHFFFAOYSA-N, KS-000019PR, 4421AB, ANW-72543, MFCD09038015, ZINC40448381, AKOS006229534, AB49494, AK-34822, AM803767, DS-12685, AJ-102683, TC-161288, CS-0047305, FT-0649635, C8H7NO4,

Complexity	201
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.038g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	181.147g/mol
Monoisotopic Mass	181.038g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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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