Structure

2-Bromocinnamic acid

CAS
7345-79-1
Catalog Number
ACM7345791
Category
Bromine Series
Molecular Weight
227.05
Molecular Formula
C9H7BrO2

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Specification

Synonyms
2-Bromocinnamic acid, o-Bromocinnamic acid, 7345-79-1, bromocinnamic acid,2-, trans-2-Bromocinnamic acid, (E)-3-(2-bromophenyl)prop-2-enoic acid, (2E)-3-(2-bromophenyl)prop-2-enoic acid, 3-(2-bromo-phenyl)-acrylic acid, 3-(2-bromophenyl)prop-2-enoic acid, SBB050858, 7499-56-1, AG-G-90582, PubChem3756, 2-bromo cinnamic acid, AC1LELU0, SureCN1049717, trans-2-Bromocinnamic acid,, RARECHEM BK HC T304, 3-(2-Bromophenyl)acrylic acid, 467421_ALDRICH
IUPAC Name
(E)-3-(2-bromophenyl)prop-2-enoic acid
Canonical SMILES
C1=CC=C(C(=C1)C=CC(=O)O)Br
InChI Key
OMHDOOAFLCMRFX-AATRIKPKSA-N
Boiling Point
340ºC at 760 mmHg
Melting Point
216-219ºC
Flash Point
159.4ºC
Density
1.607g/cm³
EC Number
231-353-0
Exact Mass
225.96300
Hazard Statements
Xi:Irritant
H-Bond Acceptor
2
H-Bond Donor
1
Safety Description
S26-S36
What is the molecular formula of 2-Bromocinnamic acid?

The molecular formula of 2-Bromocinnamic acid is C9H7BrO2.

What are the synonyms for 2-Bromocinnamic acid?

The synonyms for 2-Bromocinnamic acid include trans-2-Bromocinnamic acid and 3-(2-Bromophenyl)acrylic acid.

When was 2-Bromocinnamic acid first created?

2-Bromocinnamic acid was first created on March 26, 2005.

What is the molecular weight of 2-Bromocinnamic acid?

The molecular weight of 2-Bromocinnamic acid is 227.05 g/mol.

What is the IUPAC name of 2-Bromocinnamic acid?

The IUPAC name of 2-Bromocinnamic acid is (E)-3-(2-bromophenyl)prop-2-enoic acid.

What is the InChIKey of 2-Bromocinnamic acid?

The InChIKey of 2-Bromocinnamic acid is OMHDOOAFLCMRFX-AATRIKPKSA-N.

How many hydrogen bond donor counts are there in 2-Bromocinnamic acid?

There is 1 hydrogen bond donor count in 2-Bromocinnamic acid.

What is the topological polar surface area of 2-Bromocinnamic acid?

The topological polar surface area of 2-Bromocinnamic acid is 37.3Ų.

How many rotatable bond counts are there in 2-Bromocinnamic acid?

There are 2 rotatable bond counts in 2-Bromocinnamic acid.

What is the formal charge of 2-Bromocinnamic acid?

The formal charge of 2-Bromocinnamic acid is 0.

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