CAS
87424-98-4 Purity
96%
87424-98-4 Purity
96%
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2-Amino-3-bromo-5-(trifluoromethoxy)benzoic acid
CAS
874774-41-1
Catalog Number
ACM874774411
Category
Bromine Series
Molecular Weight
300.029410 [g/mol]
Molecular Formula
C8H5BrF3NO3
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Specification
Synonyms
2-Amino-3-bromo-5-(trifluoromethoxy)benzoic acid, 874774-41-1, PubChem13531, CTK7I6714, PC7419, AG-A-35710, AK136432, KB-227489
IUPAC Name
2-amino-3-bromo-5-(trifluoromethoxy)benzoic acid
InChI Key
QQAWRUJXYLTDOJ-UHFFFAOYSA-N
Exact Mass
298.94000
H-Bond Acceptor
7
H-Bond Donor
2
What is the molecular formula of the compound?
The molecular formula of the compound is C8H5BrF3NO3.
What is the molecular weight of the compound?
The molecular weight of the compound is 300.03 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-amino-3-bromo-5-(trifluoromethoxy)benzoic acid.
What is the CAS number of the compound?
The CAS number of the compound is 874774-41-1.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C8H5BrF3NO3/c9-5-2-3(16-8(10,11)12)1-4(6(5)13)7(14)15/h1-2H,13H2,(H,14,15).
What is the InChIKey of the compound?
The InChIKey of the compound is QQAWRUJXYLTDOJ-UHFFFAOYSA-N.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 3.2.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 7 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 2 rotatable bond counts.
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