AG003NBA

712-97-0 | 6-Nitrobenzo[d][1,3]dioxole-5-carbaldehyde

AG003NBA

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CAS Number	712-97-0
Catalog Number	AG003NBA(AGN-PC-0JKATH)
Chemical Name	6-Nitrobenzo[d][1,3]dioxole-5-carbaldehyde
EC Number	211-926-1
IUPAC Name	6-nitro-1,3-benzodioxole-5-carbaldehyde
InChI	InChI=1S/C8H5NO5/c10-3-5-1-7-8(14-4-13-7)2-6(5)9(11)12/h1-3H,4H2
InChI Key	NRZWECORTTWSEF-UHFFFAOYSA-N
MDL Number	MFCD00005829
Molecular Formula	C8H5NO5
Molecular Weight	195.1290
SMILES	O=CC1=C([N+]([O-])=O)C=C(OCO2)C2=C1
Synonyms	6-nitropiperonal, 6-Nitropiperonal, 712-97-0, 6-Nitrobenzo[d][1,3]dioxole-5-carbaldehyde, Piperonal, 6-nitro-, 6-Nitro-1,3-benzodioxole-5-carbaldehyde, 2-Nitro-4,5-methylenedioxybenzaldehyde, 1,3-Benzodioxole, 5-formyl-6-nitro-, 6-Nitro-1,3-benzodioxole-5-carboxaldehyde, EINECS 211-926-1, NSC 40550, NSC 66217, 4,5-Methylenedioxy-2-nitrobenzaldehyde, 1,3-BENZODIOXOLE-5-CARBOXALDEHYDE, 6-NITRO-, 3,4-(Methylenedioxy)-6-nitrobenzaldehyde, 4,5-(methylenedioxy)-2-nitrobenzaldehyde, AI3-63081, NRZWECORTTWSEF-UHFFFAOYSA-N, 3,4-Methylenedioxy-6-nitrobenzaldehyde, 1, 6-nitro-, 1, 5-formyl-6-nitro-, C8H5NO5, o-NITROPIPERONAL, 6-Nitropiperonal, 97%, NCIOpen2_000226, Oprea1_765279, AC1L20H1, SCHEMBL1425992, CTK7H9119, NRZWECORTTWSEF-UHFFFAOYSA-, DTXSID50221400, ZINC119450, KS-00000UD2, NSC40550, NSC66217, 1067AC, 5-Formyl-6-nitro-1,3-benzodioxole, ANW-73970, BBL013324, KM1395, MFCD00005829, NSC-40550, NSC-66217, SBB000335, STK803659, AKOS000271157, FR-0866, MCULE-3860359709, VZ25051, AJ-11583, BP-10388, LS-34645, PS-10504, SC-21447, ZB003971, 6-nitro-benzo[1,3]dioxole-5-carbaldehyde, AB0175273, DB-021424, ST2419005, TL8005009, TR-037908, 1,3-Benzodioxole-5-carboxaldehyde,6-nitro-, 6-Nitro-1,3-benzodioxole-5-carbaldehyde #, 6-nitro-2H-1,3-benzodioxole-5-carbaldehyde, FT-0617221, N0537, ST50308549, 6-nitro-2H-benzo[d]1,3-dioxolane-5-carbaldehyde, 6-nitro-2H-benzo[d]1,3-dioxolene-5-carbaldehyde, A837148, AE-641/30608017, F0348-2115, InChI=1/C8H5NO5/c10-3-5-1-7-8(14-4-13-7)2-6(5)9(11)12/h1-3H,4H2, C8-H5-N-O5, CID12840, 4-cyclohexylphenylboronic acid, pinacol ester, 820223-94-7,

Complexity	251
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.017g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	195.13g/mol
Monoisotopic Mass	195.017g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	81.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Siginal words

Certificate of Analysis

Lot Number