AG003RSA

172899-78-4 | methyl 3-formyl-5-nitrobenzoate

AG003RSA

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CAS Number	172899-78-4
Catalog Number	AG003RSA(AGN-PC-0NBJQN)
Chemical Name	methyl 3-formyl-5-nitrobenzoate
IUPAC Name	methyl 3-formyl-5-nitrobenzoate
InChI	InChI=1S/C9H7NO5/c1-15-9(12)7-2-6(5-11)3-8(4-7)10(13)14/h2-5H,1H3
InChI Key	VWRFFTKYHYLALS-UHFFFAOYSA-N
MDL Number	MFCD08275105
Molecular Formula	C9H7NO5
Molecular Weight	209.1556
SMILES	O=C(OC)C1=CC([N+]([O-])=O)=CC(C=O)=C1
Synonyms	METHYL 3-FORMYL-5-NITROBENZOATE, 172899-78-4, Benzoic acid, 3-formyl-5-nitro-, methyl ester, METHYL3-FORMYL-5-NITROBENZOATE, SCHEMBL6648792, CTK4D4407, DTXSID20445717, VWRFFTKYHYLALS-UHFFFAOYSA-N, 7034AJ, MFCD08275105, ZINC34520566, AKOS022181059, AB44759, TRA0127631, KS-00000B33, ACM172899784, AJ-89078, AK-62880, AS-31310, BBV-45162983, CJ-18440, SY025807, AX8138664, Z-3615, MFCD08275105 (97+%), C9H7NO5, Methyl 3-formyl-5-nitro-benzoate, CID10846077,

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	1.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number