AG0039NL

881674-56-2 | 5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde

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CAS Number	881674-56-2
Catalog Number	AG0039NL(AGN-PC-080RLH)
Chemical Name	5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde
EC Number	809-913-6
IUPAC Name	5-(2-fluorophenyl)-1H-pyrrole-3-carbaldehyde
InChI	InChI=1S/C11H8FNO/c12-10-4-2-1-3-9(10)11-5-8(7-14)6-13-11/h1-7,13H
InChI Key	MQULPEUCGKEHEG-UHFFFAOYSA-N
MDL Number	MFCD11875867
Molecular Formula	C11H8FNO
Molecular Weight	189.1857
SMILES	O=CC1=CNC(C2=CC=CC=C2F)=C1
Synonyms	5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde, 881674-56-2, 1H-Pyrrole-3-carboxaldehyde, 5-(2-fluorophenyl)-, 5-(2-Fluorophenyl)-1H-pyrrole-3-carboxaldehyde, AK105861, SCHEMBL193886, MQULPEUCGKEHEG-UHFFFAOYSA-N, BCP09257, MFCD11875867, ZINC95933397, AKOS022184942, CS-W004473, DS-3369, FCH1177544, SB17906, 5-(2-Fluorophenyl)pyrrole-3-carbaldehyde, AC-28753, SC-92991, SY047488, 5-(2-Fluorophenyl)pyrrole-3-carboxaldehyde, AJ-137941, F1074, FT-0701321, MFCD11875867 (97%), 5-(2-Fluorophenyl)-1H-pyrrol-3-carboxaldehyde, 1H-Pyrrole-3-carboxaldehyde,5-(2-fluorophenyl)-, ACN-037203, EC 809-913-6,

Complexity	210
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.059g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	189.189g/mol
Monoisotopic Mass	189.059g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	32.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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