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Structure

1H-Pyrrole-2-carboxaldehyde,4,5-dibromo-

CAS
932-82-1
Catalog Number
ACM932821
Category
Other Products
Molecular Weight
252.8914
Molecular Formula
C5H3Br2NO

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Specification

Synonyms
MolPort-001-769-303, ZINC04368866, OR5763, CID7213145, 932-82-1
IUPAC Name
4,5-dibromo-1H-pyrrole-2-carbaldehyde
Canonical SMILES
C1=C(NC(=C1Br)Br)C=O
InChI Key
IJBMHOCPMBSRPX-UHFFFAOYSA-N
Boiling Point
341.9ºC at 760 mmHg
Melting Point
144-148ºC
Flash Point
160.6ºC
Density
2.262 g/cm³
Exact Mass
250.85800
Hazard Statements
Xi
H-Bond Acceptor
1
H-Bond Donor
1
What is the molecular formula of 1H-Pyrrole-2-carboxaldehyde,4,5-dibromo?

The molecular formula is C5H3Br2NO.

What is the IUPAC name of 1H-Pyrrole-2-carboxaldehyde,4,5-dibromo?

The IUPAC name is 4,5-dibromo-1H-pyrrole-2-carbaldehyde.

What is the InChI of 1H-Pyrrole-2-carboxaldehyde,4,5-dibromo?

The InChI is InChI=1S/C5H3Br2NO/c6-4-1-3(2-9)8-5(4)7/h1-2,8H.

What is the InChIKey of 1H-Pyrrole-2-carboxaldehyde,4,5-dibromo?

The InChIKey is IJBMHOCPMBSRPX-UHFFFAOYSA-N.

What is the canonical SMILES of 1H-Pyrrole-2-carboxaldehyde,4,5-dibromo?

The canonical SMILES is C1=C(NC(=C1Br)Br)C=O.

What is the molecular weight of 1H-Pyrrole-2-carboxaldehyde,4,5-dibromo?

The molecular weight is 252.89 g/mol.

What is the CAS number of 1H-Pyrrole-2-carboxaldehyde,4,5-dibromo?

The CAS number is 932-82-1.

How many hydrogen bond donor count does 1H-Pyrrole-2-carboxaldehyde,4,5-dibromo have?

It has 1 hydrogen bond donor count.

How many hydrogen bond acceptor count does 1H-Pyrrole-2-carboxaldehyde,4,5-dibromo have?

It has 1 hydrogen bond acceptor count.

How many rotatable bond count does 1H-Pyrrole-2-carboxaldehyde,4,5-dibromo have?

It has 1 rotatable bond count.

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