CAS
937688-17-0 Purity
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937688-17-0 Purity
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Methyl 5-bromo-2-(isopropylamino)benzoate
CAS
937694-12-7
Catalog Number
ACM937694127
Category
Other Products
Molecular Weight
272.138360 [g/mol]
Molecular Formula
C11H14BrNO2
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Specification
Synonyms
methyl 5-bromo-2-(isopropylamino)benzoate, 937694-12-7, CTK8E2517, SBB067789, ZINC33494724, AKOS002668425, AK133828, KB-145643, FT-0656920, methyl 5-bromanyl-2-(propan-2-ylamino)benzoate, A844704, I14-5156, 5-bromo-2-(propan-2-ylamino)benzoic acid methyl ester
IUPAC Name
methyl 5-bromo-2-(propan-2-ylamino)benzoate
Canonical SMILES
CC(C)NC1=C(C=C(C=C1)Br)C(=O)OC
InChI Key
UHXOXGCKMRJDPI-UHFFFAOYSA-N
Exact Mass
271.02100
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of methyl 5-bromo-2-(isopropylamino)benzoate?
The molecular formula is C11H14BrNO2.
When was methyl 5-bromo-2-(isopropylamino)benzoate created and modified?
It was created on 2007-12-04 and modified on 2023-12-30.
What is the IUPAC Name of methyl 5-bromo-2-(isopropylamino)benzoate?
The IUPAC Name is methyl 5-bromo-2-(propan-2-ylamino)benzoate.
What is the InChI of methyl 5-bromo-2-(isopropylamino)benzoate?
The InChI is InChI=1S/C11H14BrNO2/c1-7(2)13-10-5-4-8(12)6-9(10)11(14)15-3/h4-7,13H,1-3H3.
What is the Canonical SMILES of methyl 5-bromo-2-(isopropylamino)benzoate?
The Canonical SMILES is CC(C)NC1=C(C=C(C=C1)Br)C(=O)OC.
What is the molecular weight of methyl 5-bromo-2-(isopropylamino)benzoate?
The molecular weight is 272.14 g/mol.
How many hydrogen bond donor counts are there in methyl 5-bromo-2-(isopropylamino)benzoate?
There is 1 hydrogen bond donor count.
What is the topological polar surface area of methyl 5-bromo-2-(isopropylamino)benzoate?
The topological polar surface area is 38.3 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the XLogP3-AA value of methyl 5-bromo-2-(isopropylamino)benzoate?
The XLogP3-AA value is 3.8.
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