AG0070ZM

22027-96-9 | Benzaldehyde, 3,​4-​dimethoxy-​5-​nitro-

AG0070ZM

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CAS Number	22027-96-9
Catalog Number	AG0070ZM(AGN-PC-0NBX3I)
Chemical Name	Benzaldehyde, 3,​4-​dimethoxy-​5-​nitro-
IUPAC Name	3,4-dimethoxy-5-nitrobenzaldehyde
InChI	InChI=1S/C9H9NO5/c1-14-8-4-6(5-11)3-7(10(12)13)9(8)15-2/h3-5H,1-2H3
InChI Key	NOUWQZZKSKEHCI-UHFFFAOYSA-N
MDL Number	MFCD07776940
Molecular Formula	C9H9NO5
Molecular Weight	211.1715
SMILES	O(C)c1c(N(=O)=O)cc(cc1OC)C=O
Synonyms	3,4-dimethoxy-2-nitrobenzaldehyde, nitroveratraldehyde, 3,4-DIMETHOXY-5-NITROBENZALDEHYDE, 22027-96-9, 3,4-dimethoxy-5-nitro-benzaldehyde, 3,4-Dimethoxy-5-nitro-benazldehyde, Benzaldehyde,3,4-dimethoxy-5-nitro-, PubChem17014, SCHEMBL1447403, 4-dimethoxy-5-nitrobenzaldehyde, CTK4E8326, NOUWQZZKSKEHCI-UHFFFAOYSA-N, ACT03501, ZINC6667013, 1156AB, ANW-44313, CL8297, MFCD07776940, AKOS000299536, AM84043, VZ25573, ACM22027969, AJ-56570, AK-79394, AS-46013, SC-93614, AB0087415, AX8007828, DB-011109, ST2404593, TC-061625, FT-0081550, FT-0638174, C-10962, C9H9NO5, RW1306, CID10867565,

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 Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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