AG0018D3

138229-59-1 | Benzoic acid, 3-formyl-2-nitro-, methyl ester

AG0018D3

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CAS Number	138229-59-1
Catalog Number	AG0018D3(AGN-PC-077IHU)
Chemical Name	Benzoic acid, 3-formyl-2-nitro-, methyl ester
IUPAC Name	methyl 3-formyl-2-nitrobenzoate
InChI	InChI=1S/C9H7NO5/c1-15-9(12)7-4-2-3-6(5-11)8(7)10(13)14/h2-5H,1H3
InChI Key	NSLOBVGASZUPDO-UHFFFAOYSA-N
MDL Number	MFCD14706049
Molecular Formula	C9H7NO5
Molecular Weight	209.1556
SMILES	O=C(OC)C1=CC=CC(C=O)=C1[N+]([O-])=O
Synonyms	Methyl 3-formyl-2-nitrobenzoate, 138229-59-1, 3-ForMyl-2-nitrobenzoic acid Methyl ester, Benzoic acid, 3-formyl-2-nitro-, methyl ester, AK-59657, ACMC-20mxcf, SCHEMBL358711, CTK0B8528, DTXSID10659301, NSLOBVGASZUPDO-UHFFFAOYSA-N, BCP20550, KS-00000P1B, MFCD14706049, RW3137, ZINC72233115, AKOS015969533, QC-1911, BBV-45164107, DS-16334, AB0036205, AJ-120829, AX8216875, CS-0022127, Y3235, C9H7NO5, Methyl3-formyl-2-nitrobenzoate, ACN-054124,

Complexity	272
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.032g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	209.157g/mol
Monoisotopic Mass	209.032g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	89.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335-H412
Packing Group
Precautionary statements	P261-P273-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number