AG003CUB

385380-74-5 | 1-(2-Fluoro-4-nitrophenyl)pyrrolidine

AG003CUB

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CAS Number	385380-74-5
Catalog Number	AG003CUB(AGN-PC-0KMAEH)
Chemical Name	1-(2-Fluoro-4-nitrophenyl)pyrrolidine
IUPAC Name	1-(2-fluoro-4-nitrophenyl)pyrrolidine
InChI	InChI=1S/C10H11FN2O2/c11-9-7-8(13(14)15)3-4-10(9)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2
InChI Key	SMKXLBISYVJESG-UHFFFAOYSA-N
MDL Number	MFCD02633454
Molecular Formula	C10H11FN2O2
Molecular Weight	210.2049
SMILES	N1(C2C=CC([N+]([O-])=O)=CC=2F)CCCC1
Synonyms	1-(2-fluoro-4-nitrophenyl)pyrrolidine, 385380-74-5, 3-fluoro-4-(pyrrolidin-1-yl)nitrobenzene, Pyrrolidine, 1-(2-fluoro-4-nitrophenyl)-, PubChem18700, AC1MFI90, Cambridge id 5842403, Oprea1_087961, SCHEMBL4921368, CTK4I0129, KS-00000DZX, DTXSID20386772, SMKXLBISYVJESG-UHFFFAOYSA-N, ZINC5046829, (2-fluoro-4-nitrophenyl)pyrrolidine, MFCD02633454, STL414717, AKOS003286224, AC-8456, AM86925, AN-8001, MCULE-7799298706, TRA0033227, 1-(2-fluoro-4-nitro-phenyl)pyrrolidine, AJ-53040, CJ-12416, CS-11022, SC-26902, SY002977, AB0060416, DB-018480, TC-306520, FT-0737471, ST45255649, V5647, A21946, K-8403, MFCD02633454 (97+%), 380F745, SR-01000221612, SR-01000221612-1, I14-17338, C10H11FN2O2, ZINC05046829, CID2872122, 1261268-91-0,

Complexity	238
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.08g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	210.208g/mol
Monoisotopic Mass	210.08g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	49.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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