AG00EJQY

6301-60-6 | 1,​2-​Benzenedicarboxylic acid, 4-​iodo-

AG00EJQY

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CAS Number	6301-60-6
Catalog Number	AG00EJQY(AGN-PC-0BF9IS)
Chemical Name	1,​2-​Benzenedicarboxylic acid, 4-​iodo-
EC Number	228-594-9
IUPAC Name	4-iodophthalic acid
InChI	InChI=1S/C8H5IO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key	NVBFLFQAJXJZIE-UHFFFAOYSA-N
MDL Number	MFCD00673159
Molecular Formula	C8H5IO4
Molecular Weight	292.0274
NSC Number	42483
SMILES	C(=O)(O)c1c(C(=O)O)cc(cc1)I
Synonyms	4-Iodophthalic acid, 6301-60-6, 4-iodo-phthalic acid, 4-Iodo-1,2-benzenedicarboxylic acid, 1,2-Benzenedicarboxylic acid,4-iodo, AK123113, NSC42483, EINECS 228-594-9, AC1L2ZMX, AC1Q5TG1, SCHEMBL522679, CTK2F6666, DTXSID60212228, NVBFLFQAJXJZIE-UHFFFAOYSA-N, ZINC1675303, MFCD00673159, NSC-42483, RW4088, 1,2-Benzenedicarboxylicacid, 4-iodo-, AKOS015890601, ACN-049308, FCH1331832, KS-00000R64, AJ-29391, AS-19216, SC-54494, AX8247291, DB-073244, CS-0041129, FT-0655112, X5627, 301B606, I01-7324, 4-Iodophthalicacid, C8H5IO4, C8-H5-I-O4, CID80547, AR-1G2934, 63938-86-3,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	291.923g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	292.028g/mol
Monoisotopic Mass	291.923g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number