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31349-93-6 | 4-Pyrimidinecarboxaldehyde,2-amino-5-[(4-bromophenyl)methyl]-1,6-dihydro-6-oxo-
CAS No: 31349-93-6 Catalog No: AG007HGQ MDL No:
Product Description
Catalog Number:
AG007HGQ
Chemical Name:
4-Pyrimidinecarboxaldehyde,2-amino-5-[(4-bromophenyl)methyl]-1,6-dihydro-6-oxo-
CAS Number:
31349-93-6
Molecular Formula:
C12H10BrN3O2
Molecular Weight:
308.1307
IUPAC Name:
2-amino-5-[(4-bromophenyl)methyl]-6-oxo-1H-pyrimidine-4-carbaldehyde
InChI:
InChI=1S/C12H10BrN3O2/c13-8-3-1-7(2-4-8)5-9-10(6-17)15-12(14)16-11(9)18/h1-4,6H,5H2,(H3,14,15,16,18)
InChI Key:
YHPMLSZBTCZNMT-UHFFFAOYSA-N
SMILES:
O=Cc1[nH]c(N)nc(=O)c1Cc1ccc(cc1)Br
NSC Number:
153752
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.996g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
308.135g/mol
Monoisotopic Mass:
306.996g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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