AG0036LZ

6942-36-5 | Methyl 2-bromo-5-nitrobenzoate

AG0036LZ

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CAS Number	6942-36-5
Catalog Number	AG0036LZ(AGN-PC-0JOINH)
Chemical Name	Methyl 2-bromo-5-nitrobenzoate
IUPAC Name	methyl 2-bromo-5-nitrobenzoate
InChI	InChI=1S/C8H6BrNO4/c1-14-8(11)6-4-5(10(12)13)2-3-7(6)9/h2-4H,1H3
InChI Key	VSEYYEKRZNRECT-UHFFFAOYSA-N
MDL Number	MFCD00010867
Molecular Formula	C8H6BrNO4
Molecular Weight	260.0415
NSC Number	57462
SMILES	BrC1=C(C(=O)OC)C=C(C=C1)[N+](=O)[O-]
Synonyms	Methyl 2-bromo-5-nitrobenzoate, 6942-36-5, 2-Bromo-5-nitrobenzoic Acid Methyl Ester, methyl 2-bromo-5-nitro-benzoate, MFCD00010867, BENZOIC ACID, 2-BROMO-5-NITRO-, METHYL ESTER, VSEYYEKRZNRECT-UHFFFAOYSA-N, 2-bromo-5-nitro-benzoic acid methyl ester, Methyl2-bromo-5-nitrobenzoate, NSC57462, PubChem3971, ACMC-1B9LE, NCIOpen2_002533, KSC495K5R, SCHEMBL527397, AC1L6G08, AC1Q41V8, methyl 5-nitro-2-bromobenzoate, methyl-2-bromo-5-nitrobenzoate, PARAGOS 440101, CTK3J5558, VSEYYEKRZNRECT-UHFFFAOYSA-, ZINC56674, DTXSID70288757, ACT08406, methyl 2-bromanyl-5-nitro-benzoate, ANW-35674, BBL103602, CM-974, NSC-57462, SBB051430, STL557412, AKOS009158153, AN-6853, AS03642, CS-W012516, FR-2397, GS-3166, MCULE-7845906131, Methyl 2-bromo-5-nitrobenzoate, 98%, Methyl 2-bromo-5-nitrobenzoate, 99%, RP13822, RTR-033216, TRA0048541, VZ32533, AJ-09358, AK-50636, BC002682, BR-50636, CJ-00385, SC-74819, SY060075, ZB001771, AB0011911, DB-055275, ST2419508, TR-033216, 4CH-014528, AM20060712, B1916, FT-0628438, ST50307682, KS-00001142, MFCD00010867 (98%), 42M365, M-1506, 942M365, A836491, I01-2775, InChI=1/C8H6BrNO4/c1-14-8(11)6-4-5(10(12)13)2-3-7(6)9/h2-4H,1H3, wnr de cvo2, C8H6BrNO4, AR-1L8222, CID245494, Methyl 2-bromo-5-nitrobenzoate, 99% - 25G 25g, 82867-71-8,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258.948g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	260.043g/mol
Monoisotopic Mass	258.948g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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

Lot Number