CAS
99066-71-4 Purity
96%
99066-71-4 Purity
96%
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Methyl 4-(dimethylamino)-3-iodobenzoate
CAS
99067-73-9
Catalog Number
ACM99067739
Category
Other Products
Molecular Weight
305.112250 [g/mol]
Molecular Formula
C10H12INO2
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Specification
Synonyms
methyl 4-(dimethylamino)-3-iodobenzoate, 99067-73-9, CTK8E2539, SBB068093, ZINC39951752, AKOS015852372, AK133698, methyl 4-(dimethylamino)-3-iodo-benzoate, KB-145623, FT-0657180, methyl 4-(dimethylamino)-3-iodanyl-benzoate, 4-(dimethylamino)-3-iodobenzoic acid methyl ester, A845952, I14-5534
IUPAC Name
methyl 4-(dimethylamino)-3-iodobenzoate
Canonical SMILES
CN(C)C1=C(C=C(C=C1)C(=O)OC)I
InChI Key
OVSSLPHSHJDLIO-UHFFFAOYSA-N
Boiling Point
353.21ºC at 760 mmHg
Flash Point
167.416ºC
Density
1.628g/cm³
Exact Mass
304.99100
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of methyl 4-(dimethylamino)-3-iodobenzoate?
The molecular formula is C10H12INO2.
When was methyl 4-(dimethylamino)-3-iodobenzoate created?
It was created on 2010-03-23.
What is the IUPAC name of methyl 4-(dimethylamino)-3-iodobenzoate?
The IUPAC name is methyl 4-(dimethylamino)-3-iodobenzoate.
What is the InChIKey of methyl 4-(dimethylamino)-3-iodobenzoate?
The InChIKey is OVSSLPHSHJDLIO-UHFFFAOYSA-N.
What is the Canonical SMILES of methyl 4-(dimethylamino)-3-iodobenzoate?
The Canonical SMILES is CN(C)C1=C(C=C(C=C1)C(=O)OC)I.
What is the molecular weight of methyl 4-(dimethylamino)-3-iodobenzoate?
The molecular weight is 305.11 g/mol.
What is the XLogP3-AA value of methyl 4-(dimethylamino)-3-iodobenzoate?
The XLogP3-AA value is 2.5.
How many hydrogen bond donor counts are there in methyl 4-(dimethylamino)-3-iodobenzoate?
There are 0 hydrogen bond donor counts.
What is the exact mass of methyl 4-(dimethylamino)-3-iodobenzoate?
The exact mass is 304.99128 g/mol.
Is the compound canonicalized?
Yes, the compound is canonicalized, according to PubChem.
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