AG002CHV

20000-96-8 | 5-(2-Nitrophenyl)-2-furaldehyde

AG002CHV

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CAS Number	20000-96-8
Catalog Number	AG002CHV(AGN-PC-0JUR2M)
Chemical Name	5-(2-Nitrophenyl)-2-furaldehyde
IUPAC Name	5-(2-nitrophenyl)furan-2-carbaldehyde
InChI	InChI=1S/C11H7NO4/c13-7-8-5-6-11(16-8)9-3-1-2-4-10(9)12(14)15/h1-7H
InChI Key	QBYRUURYXPVDAK-UHFFFAOYSA-N
MDL Number	MFCD00216586
Molecular Formula	C11H7NO4
Molecular Weight	217.1776
SMILES	O=CC1=CC=C(C2=CC=CC=C2[N+]([O-])=O)O1
Synonyms	5-(2-Nitrophenyl)-2-furaldehyde, 20000-96-8, 5-(2-nitrophenyl)furan-2-carbaldehyde, 5-(2-Nitrophenyl)furfural, 2-Furancarboxaldehyde, 5-(2-nitrophenyl)-, 2-Furancarboxaldehyde,5-(2-nitrophenyl)-, 5-(2-Nitro-phenyl)-furan-2-carbaldehyde, AC1LDRLP, AC1Q1WVE, ACMC-1CJO1, Cambridge id 7184607, ARONIS015574, SCHEMBL2322204, CTK4E3004, ZINC35744, DTXSID70350089, SP615, 5-(2-Nitrophenyl)furfural, 99%, ALBB-021014, KS-000045QU, 6742AD, BBL008406, MFCD00216586, SBB000564, STK010136, AKOS000108242, AKOS015916430, MCULE-2845823608, UPCMLD0ENAT5666538:001, 5(2-nitro phenyl)-furan-2-carbaldehyde, FS011373, ST005520, ZB000955, AB0218208, TC-168531, BB 0245490, FT-0713562, R2617, EN300-15280, J-012935, J-516135, I14-50938, C11H7NO4, CID673649, ZINC00035744,

Complexity	276
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.038g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	217.18g/mol
Monoisotopic Mass	217.038g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	76A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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