AG00BCNC

30186-41-5 | 1-(4-Nitrophenyl)-1H-pyrrole-2-carbaldehyde

AG00BCNC

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CAS Number	30186-41-5
Catalog Number	AG00BCNC(AGN-PC-0JSZ1D)
Chemical Name	1-(4-Nitrophenyl)-1H-pyrrole-2-carbaldehyde
IUPAC Name	1-(4-nitrophenyl)pyrrole-2-carbaldehyde
InChI	InChI=1S/C11H8N2O3/c14-8-11-2-1-7-12(11)9-3-5-10(6-4-9)13(15)16/h1-8H
InChI Key	HAWFRXCIWBFGHH-UHFFFAOYSA-N
MDL Number	MFCD00452154
Molecular Formula	C11H8N2O3
Molecular Weight	216.1928
SMILES	[O-][N+](C1=CC=C(N2C(C=O)=CC=C2)C=C1)=O
Synonyms	1-(4-Nitrophenyl)-1H-pyrrole-2-carbaldehyde, 30186-41-5, 1-(4-nitrophenyl)pyrrole-2-carbaldehyde, 1-(4-Nitro-phenyl)-1H-pyrrole-2-carbaldehyde, EC-000.1735, AC1Q1ZEE, AC1LBV52, Oprea1_607442, ARONIS25129, CTK4G4627, ZINC33994, DTXSID40340457, SP594, 1-(4-nitrophenyl)-2-formylpyrrole, ALBB-008834, 9511AD, BBL018858, MFCD00452154, SBB020407, STK266251, AKOS000113498, AKOS015922250, MCULE-4720558236, KS-0000471D, UPCMLD0ENAT5715035:001, ST048928, AB0154850, DB-068241, TR-012997, BB 0221189, FT-0679428, 1-(4-nitrophenyl)-1h-pyrrole-2-carboxaldehyde, K-7265, 1H-Pyrrole-2-carboxaldehyde,1-(4-nitrophenyl)-, I11-709, F0273-0063, C11H8N2O3, KST-1B2884, AR-1B2291, CID564844, ZINC00033994, 30418-53-2,

Complexity	269
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.053g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	216.196g/mol
Monoisotopic Mass	216.053g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	67.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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