CAS
934088-16-1 Purity
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934088-16-1 Purity
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![4-(Diethylamino)-N-[4-(diethylamino)phenyl]-N-[4-(diethyliminio)-2,5-cyclohexadien-1-ylidene]benzenaminium hexafluoroantimonate(1-)](https://resource.alfa-chemistry.com/structure/93410-50-5.gif)
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Isopropyl 2-amino-5-bromobenzoate
CAS
934110-16-4
Catalog Number
ACM934110164
Category
Other Products
Molecular Weight
258.111780 [g/mol]
Molecular Formula
C10H12BrNO2
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Specification
Synonyms
isopropyl 2-amino-5-bromobenzoate, 934110-16-4, CTK8E2514, SBB068024, ZINC37396309, AKOS000112981, AK133821, propan-2-yl 2-azanyl-5-bromanyl-benzoate, KB-145546, FT-0655792, 2-amino-5-bromobenzoic acid propan-2-yl ester, A844582, I14-5453
IUPAC Name
propan-2-yl 2-amino-5-bromobenzoate
Canonical SMILES
CC(C)OC(=O)C1=C(C=CC(=C1)Br)N
InChI Key
VVVIROCQAIVPDB-UHFFFAOYSA-N
Exact Mass
257.00500
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of isopropyl 2-amino-5-bromobenzoate?
The molecular formula is C10H12BrNO2.
What are the synonyms for isopropyl 2-amino-5-bromobenzoate?
The synonyms are propan-2-yl 2-amino-5-bromobenzoate, Isopropyl2-amino-5-bromobenzoate, and more.
When was isopropyl 2-amino-5-bromobenzoate created and modified?
It was created on 2010-03-23 and modified on 2023-12-30.
What is the IUPAC name of isopropyl 2-amino-5-bromobenzoate?
The IUPAC name is propan-2-yl 2-amino-5-bromobenzoate.
What is the InChIKey of isopropyl 2-amino-5-bromobenzoate?
The InChIKey is VVVIROCQAIVPDB-UHFFFAOYSA-N.
How many hydrogen bond donor counts does isopropyl 2-amino-5-bromobenzoate have?
It has 1 hydrogen bond donor count.
What is the exact mass of isopropyl 2-amino-5-bromobenzoate?
The exact mass is 257.00514 g/mol.
How many rotatable bond counts does isopropyl 2-amino-5-bromobenzoate have?
It has 3 rotatable bond counts.
What is the topological polar surface area of isopropyl 2-amino-5-bromobenzoate?
The topological polar surface area is 52.3 Ų.
Is the compound isopropyl 2-amino-5-bromobenzoate canonicalized?
Yes, the compound is canonicalized.
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