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126401-90-9 | Pyrimidine, 4-bromo-6-chloro-
CAS No: 126401-90-9 Catalog No: AG000SRF MDL No:MFCD08752652
Product Description
Catalog Number:
AG000SRF
Chemical Name:
Pyrimidine, 4-bromo-6-chloro-
CAS Number:
126401-90-9
Molecular Formula:
C4H2BrClN2
Molecular Weight:
193.4291
MDL Number:
MFCD08752652
IUPAC Name:
4-bromo-6-chloropyrimidine
InChI:
InChI=1S/C4H2BrClN2/c5-3-1-4(6)8-2-7-3/h1-2H
InChI Key:
AFMQGCFSFMXMLO-UHFFFAOYSA-N
SMILES:
Clc1ncnc(c1)Br
Properties
Complexity:
80.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.909g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.428g/mol
Monoisotopic Mass:
191.909g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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