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19711-75-2 | 1H-Pyrrole-2-carboxaldehyde, 5-bromo-3,4-dimethyl-
CAS No: 19711-75-2 Catalog No: AG002ALP MDL No:
Product Description
Catalog Number:
AG002ALP
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 5-bromo-3,4-dimethyl-
CAS Number:
19711-75-2
Molecular Formula:
C7H8BrNO
Molecular Weight:
202.0485
IUPAC Name:
5-bromo-3,4-dimethyl-1H-pyrrole-2-carbaldehyde
InChI:
InChI=1S/C7H8BrNO/c1-4-5(2)7(8)9-6(4)3-10/h3,9H,1-2H3
InChI Key:
PAMCVZRNKYZZIQ-UHFFFAOYSA-N
SMILES:
O=Cc1[nH]c(c(c1C)C)Br
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.979g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.051g/mol
Monoisotopic Mass:
200.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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