AG00HB9D

1089279-29-7 | 2-Ethyl-4-fluoro-1-nitrobenzene

AG00HB9D

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CAS Number	1089279-29-7
Catalog Number	AG00HB9D(AGN-PC-037YBM)
Chemical Name	2-Ethyl-4-fluoro-1-nitrobenzene
IUPAC Name	2-ethyl-4-fluoro-1-nitrobenzene
InChI	InChI=1S/C8H8FNO2/c1-2-6-5-7(9)3-4-8(6)10(11)12/h3-5H,2H2,1H3
InChI Key	MQNMCCCUGXMTSZ-UHFFFAOYSA-N
MDL Number	MFCD16658616
Molecular Formula	C8H8FNO2
Molecular Weight	169.1530
SMILES	O=[N+](C1=CC=C(F)C=C1CC)[O-]
Synonyms	2-ethyl-4-fluoro-1-nitrobenzene, 1089279-29-7, SCHEMBL310839, 4-nitro-3-ethyl-fluorobenzene, MQNMCCCUGXMTSZ-UHFFFAOYSA-N, KS-00000EO6, MFCD16658616, ZINC95725474, AKOS023557927, CS-11527, SY023824, FT-0731621, MFCD16658616 (97+%),

Complexity	169
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.054g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	169.155g/mol
Monoisotopic Mass	169.054g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
UN Code

Certificate of Analysis

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