CAS
6602-32-0 Purity
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6602-32-0 Purity
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2-Bromo-6-methylbenzoic acid
CAS
90259-31-7
Catalog Number
ACM90259317
Category
Bromine Series
Molecular Weight
215.04
Molecular Formula
C8H7BrO2
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Specification
Synonyms
2-Bromo-6-methylbenzoic acid, 90259-31-7, SBB052830, AG-H-69773, 6-bromo-2-methylbenzoic acid, PubChem4715, 6-Bromo-o-toluic acid, AC1MC3NP, ACMC-209r5e, SureCN697453, KSC494K9R, 2-Bromo-6-methylbenzoic acid,, 665673_ALDRICH, CTK3J4598, MolPort-001-767-917, ACN-C000801, ACT07316, ANW-39456, CL8032, WT1616
IUPAC Name
2-bromo-6-methylbenzoic acid
Canonical SMILES
CC1=C(C(=CC=C1)Br)C(=O)O
InChI Key
ICXBPDJQFPIBSS-UHFFFAOYSA-N
Boiling Point
307.043ºC at 760 mmHg
Melting Point
108-112ºC
Flash Point
139.495ºC
Density
1.6g/cm³
Exact Mass
213.96300
Hazard Statements
Xn:Harmful;
H-Bond Acceptor
2
H-Bond Donor
1
Safety Description
S26-S36
WGK Germany
3
What is the molecular formula of 2-Bromo-6-methylbenzoic acid?
The molecular formula of 2-Bromo-6-methylbenzoic acid is C8H7BrO2.
What is the molecular weight of 2-Bromo-6-methylbenzoic acid?
The molecular weight of 2-Bromo-6-methylbenzoic acid is 215.04 g/mol.
What is the IUPAC name of 2-Bromo-6-methylbenzoic acid?
The IUPAC name of 2-Bromo-6-methylbenzoic acid is 2-bromo-6-methylbenzoic acid.
What are some synonyms for 2-Bromo-6-methylbenzoic acid?
Some synonyms for 2-Bromo-6-methylbenzoic acid include 2-bromo-6-methyl-benzoic acid and 6-Bromo-o-toluic acid.
What is the InChIKey for 2-Bromo-6-methylbenzoic acid?
The InChIKey for 2-Bromo-6-methylbenzoic acid is ICXBPDJQFPIBSS-UHFFFAOYSA-N.
How many hydrogen bond donor count does 2-Bromo-6-methylbenzoic acid have?
2-Bromo-6-methylbenzoic acid has 1 hydrogen bond donor count.
What is the topological polar surface area of 2-Bromo-6-methylbenzoic acid?
The topological polar surface area of 2-Bromo-6-methylbenzoic acid is 37.3Ų.
Does 2-Bromo-6-methylbenzoic acid have any defined atom stereocenter count?
No, 2-Bromo-6-methylbenzoic acid has 0 defined atom stereocenter count.
What is the formal charge of 2-Bromo-6-methylbenzoic acid?
The formal charge of 2-Bromo-6-methylbenzoic acid is 0.
Is the compound of 2-Bromo-6-methylbenzoic acid canonicalized?
Yes, the compound of 2-Bromo-6-methylbenzoic acid is canonicalized.
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