AG006MYL

89976-27-2 | Methyl 4-iodo-3-nitrobenzoate

AG006MYL

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CAS Number	89976-27-2
Catalog Number	AG006MYL(AGN-PC-0JPG75)
Chemical Name	Methyl 4-iodo-3-nitrobenzoate
IUPAC Name	methyl 4-iodo-3-nitrobenzoate
InChI	InChI=1S/C8H6INO4/c1-14-8(11)5-2-3-6(9)7(4-5)10(12)13/h2-4H,1H3
InChI Key	SCMBIQRYVKITCY-UHFFFAOYSA-N
MDL Number	MFCD08064223
Molecular Formula	C8H6INO4
Molecular Weight	307.0420
NSC Number	169203
SMILES	C(=O)(OC)c1cc(N(=O)=O)c(cc1)I
Synonyms	methyl 4-iodo-3-nitrobenzoate, 89976-27-2, 4-Iodo-3-nitrobenzoic acid methyl ester, MFCD08064223, Benzoic acid,4-iodo-3-nitro-, methyl ester, Benzoic acid, 4-iodo-3-nitro-, methyl ester, NSC169203, ACMC-20af7x, AC1L6SAM, methyl-4-iodo-3-nitrobenzoate, SCHEMBL1417265, CTK5G7196, KS-00000OBU, DTXSID50305133, SCMBIQRYVKITCY-UHFFFAOYSA-N, ACT08430, ZINC1678315, 4-iodo-3-nitro benzoic methyl ester, ANW-70651, AKOS009462780, CS-W019526, NSC-169203, 3-Nitro-4-iodobenzoic acid methyl ester, 4-iodo-3-nitro-benzoic acid methyl ester, AJ-29526, AK-67633, AS-20096, CJ-06234, SY047847, TR-028222, FT-0687139, ST24031112, Z5306, MFCD08064223 (97%), M-5393, C8H6INO4, METHYL4-IODO-3-NITROBENZOATE, CID297884,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	306.934g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	307.043g/mol
Monoisotopic Mass	306.934g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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