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674776-90-0

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Basic Information
CAS No.: 674776-90-0
Name: BENZOIC ACID, 2-IODYL, 1-METHYLETHYL ESTER
Article Data: 4
Molecular Structure:
Molecular Structure of 674776-90-0 (BENZOIC ACID, 2-IODYL, 1-METHYLETHYL ESTER)
Formula: C10H11IO4
Molecular Weight: 322.099
Synonyms: Isopropyl 2-iodylbenzoate;
PSA: 60.44000
LogP: 2.61880
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    Benzoic acid, 2-iodyl-,1-methylethyl ester

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  • Benzoic acid, 2-iodyl-,1-methylethyl ester

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    Benzoic acid, 2-iodyl-,1-methylethyl ester

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Specification

The Benzoic acid, 2-iodyl-,1-methylethyl ester, with the CAS registry number 674776-90-0, is also known as Isopropyl 2-iodylbenzoate. This chemical's molecular formula is C10H11IO4 and molecular weight is 322.0964. What's more, its systematic name is called 1-Methylethyl 2-iodylbenzoate.

Physical properties about Benzoic acid, 2-iodyl-,1-methylethyl ester are: (1)ACD/LogP: -0.52; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 60.44 Å2.

You can still convert the following datas into molecular structure:
(1) SMILES: O=I(=O)c1ccccc1C(=O)OC(C)C
(2) InChI: InChI=1/C10H11IO4/c1-7(2)15-10(12)8-5-3-4-6-9(8)11(13)14/h3-7H,1-2H3
(3) InChIKey: ALSRTSXZMQADEF-UHFFFAOYAA