AG00DLF2

55910-07-1 | 5-Chloro-1-methoxy-3-nitrobenzene

AG00DLF2

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CAS Number	55910-07-1
Catalog Number	AG00DLF2(AGN-PC-00062I)
Chemical Name	5-Chloro-1-methoxy-3-nitrobenzene
IUPAC Name	1-chloro-3-methoxy-5-nitrobenzene
InChI	InChI=1S/C7H6ClNO3/c1-12-7-3-5(8)2-6(4-7)9(10)11/h2-4H,1H3
InChI Key	SVMYKCBIUQUCKY-UHFFFAOYSA-N
MDL Number	MFCD11848441
Molecular Formula	C7H6ClNO3
Molecular Weight	187.5804
SMILES	COC1=CC([N+]([O-])=O)=CC(Cl)=C1
Synonyms	3-chloro-5-nitroanisole, 1-chloro-3-methoxy-5-nitrobenzene, 55910-07-1, SVMYKCBIUQUCKY-UHFFFAOYSA-N, 1-chlor-3-methoxy-5-nitrobenzol, 3-chloro-5-nitroanisol, 3-chloro-5-nitro anisole, SCHEMBL2842859, CTK6J7902, 3-chloro-5-methoxy-1-nitrobenzene, KS-000010QD, 3-chloro-5-nitrophenyl methyl ether, 1-chloro-3-methoxy-5-nitro-benzene, MFCD11848441, SBB090637, ZINC44831194, AKOS006343327, AS-40388, SC-36048, FT-0753078, AN-584/43422716,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.004g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	187.579g/mol
Monoisotopic Mass	187.004g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55A^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-H317
Packing Group
Precautionary statements	P280
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number