CAS
91130-46-0 Purity
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91130-46-0 Purity
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4-tert-butyl-3-iodobenzoic acid
CAS
91131-72-5
Catalog Number
ACM91131725
Category
Other Products
Molecular Weight
304.124190 [g/mol]
Molecular Formula
C11H13IO2
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Specification
Synonyms
4-tert-butyl-3-iodobenzoic acid, 91131-72-5, 4-(tert-Butyl)-3-iodobenzoic acid, CTK8C6778, 4-tert-butyl-3-iodanyl-benzoic acid, SBB064846, AKOS015841137, AK-93343, KB-145293, FT-0653177, A843732, I01-6095
IUPAC Name
4-tert-butyl-3-iodobenzoic acid
SMILES
CC(C)(C)C1=C(C=C(C=C1)C(=O)O)I
InChI Key
RKQXGGKRIINFTM-UHFFFAOYSA-N
Boiling Point
355.183ºC at 760 mmHg
Flash Point
168.609ºC
Density
1.595g/cm³
Exact Mass
303.99600
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of 4-tert-butyl-3-iodobenzoic acid?
The molecular formula of 4-tert-butyl-3-iodobenzoic acid is C11H13IO2.
When was the PubChem CID for 4-tert-butyl-3-iodobenzoic acid created and last modified?
The PubChem CID for 4-tert-butyl-3-iodobenzoic acid was created on March 23, 2010, and last modified on December 30, 2023.
What is the IUPAC name of 4-tert-butyl-3-iodobenzoic acid?
The IUPAC name of 4-tert-butyl-3-iodobenzoic acid is 4-tert-butyl-3-iodobenzoic acid.
What is the Canonical SMILES representation of 4-tert-butyl-3-iodobenzoic acid?
The Canonical SMILES representation of 4-tert-butyl-3-iodobenzoic acid is CC(C)(C)C1=C(C=C(C=C1)C(=O)O)I.
What is the molecular weight of 4-tert-butyl-3-iodobenzoic acid?
The molecular weight of 4-tert-butyl-3-iodobenzoic acid is 304.12 g/mol.
How many hydrogen bond donor counts does 4-tert-butyl-3-iodobenzoic acid have?
4-tert-butyl-3-iodobenzoic acid has 1 hydrogen bond donor count.
What is the exact mass of 4-tert-butyl-3-iodobenzoic acid?
The exact mass of 4-tert-butyl-3-iodobenzoic acid is 303.99603 g/mol.
Does 4-tert-butyl-3-iodobenzoic acid have any defined atom stereocenter count?
No, 4-tert-butyl-3-iodobenzoic acid does not have any defined atom stereocenter count.
How many rotatable bond counts does 4-tert-butyl-3-iodobenzoic acid have?
4-tert-butyl-3-iodobenzoic acid has 2 rotatable bond counts.
Is 4-tert-butyl-3-iodobenzoic acid a canonicalized compound according to PubChem?
Yes, 4-tert-butyl-3-iodobenzoic acid is a canonicalized compound according to PubChem.
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