CAS
1003709-35-0 Purity
96%
1003709-35-0 Purity
96%
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2-Bromo-5-fluoro-4-methylbenzoic acid
CAS
1003709-54-3
Catalog Number
ACM1003709543
Category
Bromine Series
Molecular Weight
233.034443 [g/mol]
Molecular Formula
C8H6BrFO2
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Specification
Synonyms
2-BROMO-5-FLUORO-4-METHYLBENZOIC ACID, 1003709-54-3, PubChem1364, AGN-PC-07A7SB, SCHEMBL851686, CTK7I6958, MolPort-003-984-143, AKOS022171901, 2-bromo-4-methyl-5-fluorobenzoic acid, AG-C-30658, LS10526, XF10084, AK136436, AJ-101355, DB-058373, KB-169021, X4313
IUPAC Name
2-bromo-5-fluoro-4-methylbenzoic acid
InChI Key
WFPYJWBPQCXYCJ-UHFFFAOYSA-N
Exact Mass
231.95400
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 2-Bromo-5-fluoro-4-methylbenzoic acid?
The molecular formula of 2-Bromo-5-fluoro-4-methylbenzoic acid is C8H6BrFO2.
What is the molecular weight of 2-Bromo-5-fluoro-4-methylbenzoic acid?
The molecular weight of 2-Bromo-5-fluoro-4-methylbenzoic acid is 233.03 g/mol.
What is the IUPAC name of 2-Bromo-5-fluoro-4-methylbenzoic acid?
The IUPAC name of 2-Bromo-5-fluoro-4-methylbenzoic acid is 2-bromo-5-fluoro-4-methylbenzoic acid.
What is the InChI of 2-Bromo-5-fluoro-4-methylbenzoic acid?
The InChI of 2-Bromo-5-fluoro-4-methylbenzoic acid is InChI=1S/C8H6BrFO2/c1-4-2-6(9)5(8(11)12)3-7(4)10/h2-3H,1H3,(H,11,12).
What is the InChIKey of 2-Bromo-5-fluoro-4-methylbenzoic acid?
The InChIKey of 2-Bromo-5-fluoro-4-methylbenzoic acid is WFPYJWBPQCXYCJ-UHFFFAOYSA-N.
What is the canonical SMILES of 2-Bromo-5-fluoro-4-methylbenzoic acid?
The canonical SMILES of 2-Bromo-5-fluoro-4-methylbenzoic acid is CC1=CC(=C(C=C1F)C(=O)O)Br.
What is the CAS number of 2-Bromo-5-fluoro-4-methylbenzoic acid?
The CAS number of 2-Bromo-5-fluoro-4-methylbenzoic acid is 1003709-54-3.
What is the XLogP3-AA value of 2-Bromo-5-fluoro-4-methylbenzoic acid?
The XLogP3-AA value of 2-Bromo-5-fluoro-4-methylbenzoic acid is 2.6.
What is the hydrogen bond donor count of 2-Bromo-5-fluoro-4-methylbenzoic acid?
The hydrogen bond donor count of 2-Bromo-5-fluoro-4-methylbenzoic acid is 1.
What is the hydrogen bond acceptor count of 2-Bromo-5-fluoro-4-methylbenzoic acid?
The hydrogen bond acceptor count of 2-Bromo-5-fluoro-4-methylbenzoic acid is 3.
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