1-Methyl 2-iodoterephthalate - CAS 299173-24-3

Name: 1-Methyl 2-iodoterephthalate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB020382
Product Name:	1-Methyl 2-iodoterephthalate
CAS:	299173-24-3
Synonyms:	3-iodo-4-methoxycarbonylbenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	3-iodo-4-methoxycarbonylbenzoic acid
Description:	1-Methyl 2-iodoterephthalate (CAS# 299173-24-3) is a useful research chemical compound.
Molecular Weight:	306.05
Molecular Formula:	C9H7IO4
Canonical SMILES:	COC(=O)C1=C(C=C(C=C1)C(=O)O)I
InChI:	InChI=1S/C9H7IO4/c1-14-9(13)6-3-2-5(8(11)12)4-7(6)10/h2-4H,1H3,(H,11,12)
InChI Key:	AGYGRJJIWDNTLI-UHFFFAOYSA-N
Boiling Point:	391.1 °C at 760 mmHg
Density:	1.89 g/cm³
MDL:	MFCD06798132
LogP:	1.77600

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Related Functional Groups

Carbonyl Compounds

[87-88-7]C6H2Cl2O4
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[17746-05-3]C11H21ClO
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[55441-25-3]C8H7N3O
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[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P316, P321, P330, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
AU-2017277422-A1	Anti-EGFR antibody drug conjugates	20160608
AU-2017277517-A1	Anti-EGFR antibody drug conjugates	20160608
AU-2017277914-A1	Anti-CD98 antibodies and antibody drug conjugates	20160608
AU-2017277920-A1	Anti-CD98 antibodies and antibody drug conjugates	20160608
AU-2017279539-A1	Anti-B7-H3 antibodies and antibody drug conjugates	20160608

Complexity:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	305.93891
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	305.93891
Rotatable Bond Count:	3
Topological Polar Surface Area:	63.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2