AG003RVF

153813-69-5 | Methyl 4-formyl-3-nitrobenzoate

AG003RVF

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CAS Number	153813-69-5
Catalog Number	AG003RVF(AGN-PC-0KUQAG)
Chemical Name	Methyl 4-formyl-3-nitrobenzoate
IUPAC Name	methyl 4-formyl-3-nitrobenzoate
InChI	InChI=1S/C9H7NO5/c1-15-9(12)6-2-3-7(5-11)8(4-6)10(13)14/h2-5H,1H3
InChI Key	WGOOPYYIMZJWMA-UHFFFAOYSA-N
MDL Number	MFCD04039968
Molecular Formula	C9H7NO5
Molecular Weight	209.1556
SMILES	C(=O)C1=C(C=C(C(=O)OC)C=C1)[N+](=O)[O-]
Synonyms	Methyl 4-formyl-3-nitrobenzoate, 153813-69-5, Methyl 4-formyl-3-nitro-benzoate, methyl4-formyl-3-nitrobenzoate, AK-50968, 4-formyl-3-nitro-benzoic acid methyl ester, Benzoic acid, 4-formyl-3-nitro-, methyl ester, AC1MQTDW, ACMC-20a1dz, SCHEMBL192836, 4-Formyl-3-nitromethylbenzoate, methyl-4-formyl-3-nitrobenzoate, CTK4C7993, DTXSID40392658, WGOOPYYIMZJWMA-UHFFFAOYSA-N, BCP26998, CS-M1229, ZINC2526544, 4-methoxycarbonyl-2-nitrobenzaldehyde, ANW-52725, BBL102199, MFCD04039968, STL555998, Methyl 4-Formyl-3-Nitrobenzoate 97, AKOS015852151, methyl 4-formyl-3-nitrobenzoate 97, CM-2136, OR18823, RTC-062841, TRA0073103, 4-(Methoxycarbonyl)-2-nitrobenzaldehyde, KS-00000B58, Methyl 4-formyl-3-nitrobenzoate, 97%, AJ-37620, AS-19156, SC-19949, SY047864, 3-Nitro-4-formylbenzoic acid methyl ester, 4-formyl-3-nitrobenzoic acid methyl ester, AB0031724, AX8138988, DB-001054, TC-062841, AM20030047, FT-0725949, ST24047925, X4906, Benzoic acid,4-formyl-3-nitro-, methyl ester, MFCD04039968 (97%), W-2318, I01-8007, J-009049, C9H7NO5, CID3457222, A15259,

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-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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