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Structure

2-amino-3-bromobenzoic acid

CAS
20776-51-6
Catalog Number
ACM20776516
Category
Bromine Series
Molecular Weight
216.03
Molecular Formula
C7H6BrNO2

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Specification

Synonyms
3-Bromoanthralic acid
IUPAC Name
2-amino-3-bromobenzoic acid
Canonical SMILES
C1=CC(=C(C(=C1)Br)N)C(=O)O
InChI
InChI=1S/C7H6BrNO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H,10,11)
InChI Key
SRIZNTFPBWRGPB-UHFFFAOYSA-N
Boiling Point
343.5±32.0 ºC
Melting Point
173 ºC
Density
1.793±0.06 g/ml
Hazard Statements
H315-H319-H335
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the molecular formula of 2-Amino-3-bromobenzoic acid?

The molecular formula of 2-Amino-3-bromobenzoic acid is C7H6BrNO2.

What is the molecular weight of 2-Amino-3-bromobenzoic acid?

The molecular weight of 2-Amino-3-bromobenzoic acid is 216.03 g/mol.

What is the IUPAC name of 2-Amino-3-bromobenzoic acid?

The IUPAC name of 2-Amino-3-bromobenzoic acid is 2-amino-3-bromobenzoic acid.

What is the InChI of 2-Amino-3-bromobenzoic acid?

The InChI of 2-Amino-3-bromobenzoic acid is InChI=1S/C7H6BrNO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H,10,11).

What is the InChIKey of 2-Amino-3-bromobenzoic acid?

The InChIKey of 2-Amino-3-bromobenzoic acid is SRIZNTFPBWRGPB-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Amino-3-bromobenzoic acid?

The canonical SMILES of 2-Amino-3-bromobenzoic acid is C1=CC(=C(C(=C1)Br)N)C(=O)O.

What is the CAS number of 2-Amino-3-bromobenzoic acid?

The CAS number of 2-Amino-3-bromobenzoic acid is 20776-51-6.

What is the European Community (EC) number of 2-Amino-3-bromobenzoic acid?

The European Community (EC) number of 2-Amino-3-bromobenzoic acid is 630-294-1.

What is the DSSTox Substance ID of 2-Amino-3-bromobenzoic acid?

The DSSTox Substance ID of 2-Amino-3-bromobenzoic acid is DTXSID50296895.

What is the topological polar surface area of 2-Amino-3-bromobenzoic acid?

The topological polar surface area of 2-Amino-3-bromobenzoic acid is 63.3Ų.

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