AG0028ZN

20357-25-9 | Benzaldehyde, 4,5-dimethoxy-2-nitro-

AG0028ZN

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CAS Number	20357-25-9
Catalog Number	AG0028ZN(AGN-PC-0JLXH2)
Chemical Name	Benzaldehyde, 4,5-dimethoxy-2-nitro-
EC Number	243-762-1
IUPAC Name	4,5-dimethoxy-2-nitrobenzaldehyde
InChI	InChI=1S/C9H9NO5/c1-14-8-3-6(5-11)7(10(12)13)4-9(8)15-2/h3-5H,1-2H3
InChI Key	YWSPWKXREVSQCA-UHFFFAOYSA-N
MDL Number	MFCD00007134
Molecular Formula	C9H9NO5
Molecular Weight	211.1715
NSC Number	65590
SMILES	COC1=CC(C=O)=C([N+]([O-])=O)C=C1OC
Synonyms	4,5-dimethoxy-2-nitrobenzaldehyde, 6-Nitroveratraldehyde, 20357-25-9, 4,5-Dimethoxy-2-nitrobenzaldehyde, DMNB, Benzaldehyde, 4,5-dimethoxy-2-nitro-, 3,4-Dimethoxy-6-nitrobenzaldehyde, 4,5-dimethoxy-2-nitro-benzaldehyde, DNA-PK Inhibitor, CHEMBL1332518, YWSPWKXREVSQCA-UHFFFAOYSA-N, 2-Nitro-4,5-dimethoxybenzaldehyde, MFCD00007134, DNA-Dependent Protein Kinase Inhibitor, 2-nitro-4,5-bis(methyloxy)benzaldehyde, AK-45809, ST044482, AE-641/30608009, W-107627, NSC65590, EINECS 243-762-1, PubChem8213, AC1L3FVU, AC1Q1YSC, Oprea1_551791, KSC203M1T, SCHEMBL211200, ACMC-209f96, CTK1A3619, ZINC32320, DTXSID30174268, CHEBI:108597, HMS3268J17, HMS3677E15, 4,5-Dimethoxy-2-formylnitrobenzene, AC1Q4894, ACT02976, CS-D1696, KS-00000B2A, STR05106, ZX-AT022128, ANW-24040, BBL104434, BDBM50398040, HSCI1_000095, NSC-65590, SBB000505, STK361573, TD1274, 4,5-Dimethoxy-2-nitrobenzaldehyde #, AKOS000100856, AC-4248, MCULE-2120767483, OR28696, RTR-009488, TRA0019007, VZ30838, ACM20357259, NCGC00092305-01, AJ-08545, AN-12167, BBV-46876421, BP-12518, BR-45809, CC-22935, CJ-00179, MFCD00007134 (tech. 80%), SC-02291, SY023985, ZB000905, AB0023269, AB1007686, AX8007829, DB-005399, ST2412475, TL8001686, TR-009488, 4CH-015310, 6-Nitroveratraldehyde, technical grade, 80%, B6945, FT-0621281, N0538, TL80090622, W4291, M-7308, 357N259, A814482, C-10960, I01-8180, I14-0112, BRD-K03564313-001-02-5, 3,4-Dimethoxy-6-nitrobenzaldehyde; 4,5-Dimethoxy-2-nitrobenzaldehyde, InChI=1/C9H9NO5/c1-14-8-3-6(5-11)7(10(12)13)4-9(8)15-2/h3-5H,1-2H, 6-Nitro veratraldehyde, C9H9NO5, C9-H9-N-O5, CID88505, AR-1H2429, ACN-054595, 4,5-Dimethoxy-2-nitrobenzaldehyde, 85% - 25G 25g, 6288-72-8,

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.048g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	211.173g/mol
Monoisotopic Mass	211.048g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	81.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H332-H335
Precuationary statements	P261-P280-P305+P351+P338
Siginal words

Certificate of Analysis

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