Home Halogens 4-bromo-1H-pyrrole-3-carbaldehyde

4-bromo-1H-pyrrole-3-carbaldehyde

CAS No.:
1378850-57-7
Catalog Number:
AG01DVZ1
Molecular Formula:
C5H4BrNO
Molecular Weight:
173.9954
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Product Description
Catalog Number:
AG01DVZ1
Chemical Name:
4-bromo-1H-pyrrole-3-carbaldehyde
CAS Number:
1378850-57-7
Molecular Formula:
C5H4BrNO
Molecular Weight:
173.9954
MDL Number:
MFCD20677048
IUPAC Name:
4-bromo-1H-pyrrole-3-carbaldehyde
InChI:
InChI=1S/C5H4BrNO/c6-5-2-7-1-4(5)3-8/h1-3,7H
InChI Key:
YPHTZOJAYSPYBS-UHFFFAOYSA-N
SMILES:
Brc1c[nH]cc1C=O
Properties
Complexity:
96.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.948g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
173.997g/mol
Monoisotopic Mass:
172.948g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties