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1310097-29-0 | 5H-Cyclopenta[d]pyrazolo[1,5-a]pyriMidine, 3-broMo-8-chloro-6,7-dihydro-
CAS No: 1310097-29-0 Catalog No: AG000VBF MDL No:MFCD19313112
Product Description
Catalog Number:
AG000VBF
Chemical Name:
5H-Cyclopenta[d]pyrazolo[1,5-a]pyriMidine, 3-broMo-8-chloro-6,7-dihydro-
CAS Number:
1310097-29-0
Molecular Formula:
C9H7BrClN3
Molecular Weight:
272.5290
MDL Number:
MFCD19313112
IUPAC Name:
10-bromo-2-chloro-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
InChI:
InChI=1S/C9H7BrClN3/c10-6-4-12-14-8(11)5-2-1-3-7(5)13-9(6)14/h4H,1-3H2
InChI Key:
HUYFMRMVVZZPIR-UHFFFAOYSA-N
SMILES:
Brc1cnn2c1nc1CCCc1c2Cl
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.951g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.53g/mol
Monoisotopic Mass:
270.951g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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