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Home > Aldehydes > 1018828-40-4
1018828-40-4 | Imidazo[1,2-a]pyrimidine-2-carboxaldehyde, 3-bromo-
CAS No: 1018828-40-4 Catalog No: AG0005TI MDL No:
Product Description
Catalog Number:
AG0005TI
Chemical Name:
Imidazo[1,2-a]pyrimidine-2-carboxaldehyde, 3-bromo-
CAS Number:
1018828-40-4
Molecular Formula:
C7H4BrN3O
Molecular Weight:
226.0302
IUPAC Name:
3-bromoimidazo[1,2-a]pyrimidine-2-carbaldehyde
InChI:
InChI=1S/C7H4BrN3O/c8-6-5(4-12)10-7-9-2-1-3-11(6)7/h1-4H
InChI Key:
QIHNGBVMGNKXBY-UHFFFAOYSA-N
SMILES:
O=Cc1nc2n(c1Br)cccn2
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.954g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.033g/mol
Monoisotopic Mass:
224.954g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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