AG00EC7Q

5680-51-3 | Cyclopropyl-(3-nitro-phenyl)-methanone

AG00EC7Q

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CAS Number	5680-51-3
Catalog Number	AG00EC7Q(AGN-PC-0JPG0Z)
Chemical Name	Cyclopropyl-(3-nitro-phenyl)-methanone
IUPAC Name	cyclopropyl-(3-nitrophenyl)methanone
InChI	InChI=1S/C10H9NO3/c12-10(7-4-5-7)8-2-1-3-9(6-8)11(13)14/h1-3,6-7H,4-5H2
InChI Key	SPBSPZKRZGRRSE-UHFFFAOYSA-N
MDL Number	MFCD04114344
Molecular Formula	C10H9NO3
Molecular Weight	191.1834
NSC Number	168880
SMILES	[O-][N+](C1=CC=CC(C(C2CC2)=O)=C1)=O
Synonyms	Cyclopropyl(3-nitrophenyl)methanone, 5680-51-3, CYCLOPROPYL-(3-NITRO-PHENYL)-METHANONE, cyclopropyl-(3-nitrophenyl)methanone, NSC168880, AC1L6RWW, SCHEMBL6175481, CTK5A5727, DTXSID40305041, SPBSPZKRZGRRSE-UHFFFAOYSA-N, KS-000019ND, ZINC1673868, Cyclopropyl(3-nitrophenyl)-methanone, 8313AB, ANW-52978, FCH848894, MFCD04114344, AKOS006294161, AB18097, NSC-168880, AJ-29343, CJ-27283, AX8029077, DB-072193, ST2419202, TC-141723, 4CH-013057, FT-0693189, METHANONE, CYCLOPROPYL(3-NITROPHENYL)-, Z-5462, A831180, S14-2744, F2167-9489, C10H9NO3, CID297630,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.058g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	191.186g/mol
Monoisotopic Mass	191.058g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	62.9A^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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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