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Home > Aldehydes > 881676-32-0
881676-32-0 | 5-bromo-1h-pyrrole-3-carbaldehyde
CAS No: 881676-32-0 Catalog No: AG0039J3 MDL No:MFCD11875943
Product Description
Catalog Number:
AG0039J3
Chemical Name:
5-bromo-1h-pyrrole-3-carbaldehyde
CAS Number:
881676-32-0
Molecular Formula:
C5H4BrNO
Molecular Weight:
173.9954
MDL Number:
MFCD11875943
IUPAC Name:
5-bromo-1H-pyrrole-3-carbaldehyde
InChI:
InChI=1S/C5H4BrNO/c6-5-1-4(3-8)2-7-5/h1-3,7H
InChI Key:
XTLHTMDWLYWDEO-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c(c1)Br
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:
1.2
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