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1375069-40-1 | 6-broMo-4H-cyclopenta[d]pyriMidin-4-one
CAS No: 1375069-40-1 Catalog No: AG0013GB MDL No:MFCD22631482
Product Description
Catalog Number:
AG0013GB
Chemical Name:
6-broMo-4H-cyclopenta[d]pyriMidin-4-one
CAS Number:
1375069-40-1
Molecular Formula:
C7H3BrN2O
Molecular Weight:
211.0155
MDL Number:
MFCD22631482
IUPAC Name:
6-bromocyclopenta[d]pyrimidin-4-one
InChI:
InChI=1S/C7H3BrN2O/c8-4-1-5-6(2-4)9-3-10-7(5)11/h1-3H
InChI Key:
STKAXUAFTMVNAX-UHFFFAOYSA-N
SMILES:
BrC1=CC2=NC=NC(=O)C2=C1
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.943g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.018g/mol
Monoisotopic Mass:
209.943g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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