AG003LME

22996-21-0 | 4-Methoxy-2-nitrobenzaldehyde

AG003LME

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CAS Number	22996-21-0
Catalog Number	AG003LME(AGN-PC-0JQDDP)
Chemical Name	4-Methoxy-2-nitrobenzaldehyde
IUPAC Name	4-methoxy-2-nitrobenzaldehyde
InChI	InChI=1S/C8H7NO4/c1-13-7-3-2-6(5-10)8(4-7)9(11)12/h2-5H,1H3
InChI Key	KLTDQLIGNSBZPO-UHFFFAOYSA-N
MDL Number	MFCD00024254
Molecular Formula	C8H7NO4
Molecular Weight	181.1455
NSC Number	617208
SMILES	COC1=CC(=C(C=O)C=C1)[N+](=O)[O-]
Synonyms	4-methoxy-2-nitrobenzaldehyde, 22996-21-0, 4-Methoxy-2-nitro-benzaldehyde, 2-NITRO-4-METHOXYBENZALDEHYDE, BENZALDEHYDE, 4-METHOXY-2-NITRO-, NSC617208, PubChem17022, 4-Formyl-3-nitroanisole, KSC495O7F, 2-Formyl-5-methoxynitrobenzene, 2-nitro-4-methoxy benzaldehyde, 4-Mehtyl-2-Nitro-Benzaldehyde, AC1L7B04, AC1Q47G7, SCHEMBL1572278, CHEMBL1994608, CTK3J5772, KS-00000MFQ, DTXSID30326801, KLTDQLIGNSBZPO-UHFFFAOYSA-N, ACT03498, ZINC1613167, ANW-51071, BBL101188, CL8363, MFCD00024254, SBB052192, STL554984, WT1239, AKOS005257256, AB01428, CM-1300, CS-W004716, NSC-617208, PS-4656, QC-9906, RP03232, RTC-030194, TRA0052825, VZ29306, AC-29344, AJ-28245, AK-24233, BC675956, BR-24233, CJ-05768, CJ-26045, NCI60_005160, SC-21992, SY018573, AB0023594, DB-006857, ST2411494, TC-030194, 4CH-001939, A4874, AM20030397, FT-0080034, FT-0600638, W4676, 22996-21-0 4-methoxy-2-nitrobenzaldehyde, EN300-71956, S-2633, MFCD00024254 (97+%), 996M210, A816471, I01-7182, W-206794, C8H7NO4, CID357691, RW1596, 4-methoxy-2-nitrobenzaldehyde, 95% - 1G 1g,

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	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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