AG009ISU

135484-76-3 | BENZOIC ACID, 2-BROMO-6-NITRO-, METHYL ESTER

AG009ISU

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CAS Number	135484-76-3
Catalog Number	AG009ISU(AGN-PC-003LDE)
Chemical Name	BENZOIC ACID, 2-BROMO-6-NITRO-, METHYL ESTER
IUPAC Name	methyl 2-bromo-6-nitrobenzoate
InChI	InChI=1S/C8H6BrNO4/c1-14-8(11)7-5(9)3-2-4-6(7)10(12)13/h2-4H,1H3
InChI Key	CBQNPPDKHCOWGD-UHFFFAOYSA-N
MDL Number	MFCD11977361
Molecular Formula	C8H6BrNO4
Molecular Weight	260.0415
SMILES	O=C(OC)C1=C([N+]([O-])=O)C=CC=C1Br
Synonyms	METHYL 2-BROMO-6-NITROBENZOATE, 135484-76-3, Benzoicacid, 2-bromo-6-nitro-, methyl ester, Benzoic acid, 2-bromo-6-nitro-, methyl ester, 2-bromo-6-nitrobenzoic acid methyl ester, AK141782, 2-bromo-6-nitro-benzoic acid methyl ester, ACMC-20mvs2, SCHEMBL4099183, CTK4B9838, DTXSID90567718, CBQNPPDKHCOWGD-UHFFFAOYSA-N, KS-00000RV9, methyl 2-bromanyl-6-nitro-benzoate, MFCD11977361, ZINC71605813, AKOS015909168, CM-1635, CS-W007252, DS-7314, FCH1408882, AJ-118186, AX8281923, A806939, I14-32890,

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	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number