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784150-41-0 | 6-Bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine
CAS No: 784150-41-0 Catalog No: AG0036J0 MDL No:MFCD08276174
Product Description
Catalog Number:
AG0036J0
Chemical Name:
6-Bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine
CAS Number:
784150-41-0
Molecular Formula:
C6H3BrClN3
Molecular Weight:
232.4651
MDL Number:
MFCD08276174
IUPAC Name:
6-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine
InChI:
InChI=1S/C6H3BrClN3/c7-4-1-3-5(8)9-2-10-6(3)11-4/h1-2H,(H,9,10,11)
InChI Key:
NJPXMLQSSKQIJH-UHFFFAOYSA-N
SMILES:
Brc1cc2c([nH]1)ncnc2Cl
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.92g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.465g/mol
Monoisotopic Mass:
230.92g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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