AG008G95

84832-01-9 | Methyl 2,6-difluoro-3-nitrobenzoate

AG008G95

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CAS Number	84832-01-9
Catalog Number	AG008G95(AGN-PC-06MYEJ)
Chemical Name	Methyl 2,6-difluoro-3-nitrobenzoate
IUPAC Name	methyl 2,6-difluoro-3-nitrobenzoate
InChI	InChI=1S/C8H5F2NO4/c1-15-8(12)6-4(9)2-3-5(7(6)10)11(13)14/h2-3H,1H3
InChI Key	CIHHBTMZOLRCRL-UHFFFAOYSA-N
MDL Number	MFCD07368850
Molecular Formula	C8H5F2NO4
Molecular Weight	217.1264
SMILES	O=C(OC)C1=C(F)C=CC([N+]([O-])=O)=C1F
Synonyms	METHYL 2,6-DIFLUORO-3-NITROBENZOATE, 84832-01-9, 2,6-Difluoro-3-nitrobenzoic acid methyl ester, Benzoic acid,2,6-difluoro-3-nitro-, methyl ester, MFCD07368850, Benzoic acid, 2,6-difluoro-3-nitro-, methyl ester, ACMC-209pwt, SCHEMBL914504, CTK5F3242, KS-00000BRH, DTXSID90656055, CIHHBTMZOLRCRL-UHFFFAOYSA-N, BCP27289, Methyl2,6-difluoro-3-nitrobenzoate, ANW-37851, KM2233, ZINC35333564, AKOS009486805, CM12685, QC-1078, AC-26957, AJ-91329, AK-90572, AS-19929, CJ-18745, DA-02843, SC-85452, SY022980, AB0043848, AB1009200, ST2407098, TC-070836, 4CH-018317, CS-0038444, FT-0083722, FT-0651558, M2749, Z1808, MFCD07368850 (97%), 2,6-Difluoro-3-nitro-benzoic acid methyl ester, C8H5F2NO4, A15843,

Complexity	268
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.019g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	217.128g/mol
Monoisotopic Mass	217.019g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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