CAS
1003708-24-4 Purity
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1003708-24-4 Purity
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2-Bromo-4-fluoro-5-methylbenzoic acid
CAS
1003709-39-4
Catalog Number
ACM1003709394
Category
Bromine Series
Molecular Weight
233.034443 [g/mol]
Molecular Formula
C8H6BrFO2
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Specification
Synonyms
2-BROMO-4-FLUORO-5-METHYLBENZOIC ACID, 1003709-39-4, PubChem1362, AGN-PC-07A7S9, CTK7I6681, MolPort-003-984-141, AG-C-28790, LS10528, AK-37286, KB-68270, X4311, S-7948
IUPAC Name
2-bromo-4-fluoro-5-methylbenzoic acid
InChI Key
UVSGTNJGIMPLAM-UHFFFAOYSA-N
Exact Mass
231.95400
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 2-Bromo-4-fluoro-5-methylbenzoic acid?
The molecular formula of 2-Bromo-4-fluoro-5-methylbenzoic acid is C8H6BrFO2.
What is the molecular weight of 2-Bromo-4-fluoro-5-methylbenzoic acid?
The molecular weight of 2-Bromo-4-fluoro-5-methylbenzoic acid is 233.03 g/mol.
What is the IUPAC name of 2-Bromo-4-fluoro-5-methylbenzoic acid?
The IUPAC name of 2-Bromo-4-fluoro-5-methylbenzoic acid is 2-bromo-4-fluoro-5-methylbenzoic acid.
What is the InChI of 2-Bromo-4-fluoro-5-methylbenzoic acid?
The InChI of 2-Bromo-4-fluoro-5-methylbenzoic acid is InChI=1S/C8H6BrFO2/c1-4-2-5(8(11)12)6(9)3-7(4)10/h2-3H,1H3,(H,11,12).
What is the InChIKey of 2-Bromo-4-fluoro-5-methylbenzoic acid?
The InChIKey of 2-Bromo-4-fluoro-5-methylbenzoic acid is UVSGTNJGIMPLAM-UHFFFAOYSA-N.
What is the canonical SMILES of 2-Bromo-4-fluoro-5-methylbenzoic acid?
The canonical SMILES of 2-Bromo-4-fluoro-5-methylbenzoic acid is CC1=CC(=C(C=C1F)Br)C(=O)O.
What is the CAS number of 2-Bromo-4-fluoro-5-methylbenzoic acid?
The CAS number of 2-Bromo-4-fluoro-5-methylbenzoic acid is 1003709-39-4.
What is the XLogP3-AA value of 2-Bromo-4-fluoro-5-methylbenzoic acid?
The XLogP3-AA value of 2-Bromo-4-fluoro-5-methylbenzoic acid is 2.6.
What is the hydrogen bond donor count of 2-Bromo-4-fluoro-5-methylbenzoic acid?
The hydrogen bond donor count of 2-Bromo-4-fluoro-5-methylbenzoic acid is 1.
What is the hydrogen bond acceptor count of 2-Bromo-4-fluoro-5-methylbenzoic acid?
The hydrogen bond acceptor count of 2-Bromo-4-fluoro-5-methylbenzoic acid is 3.
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