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Home > Bromides > 1228147-70-3
1228147-70-3 | 1H-Indole, 5-bromo-1-(2-pyrimidinyl)-
CAS No: 1228147-70-3 Catalog No: AG000JIL MDL No:
Product Description
Catalog Number:
AG000JIL
Chemical Name:
1H-Indole, 5-bromo-1-(2-pyrimidinyl)-
CAS Number:
1228147-70-3
Molecular Formula:
C12H8BrN3
Molecular Weight:
274.1160
IUPAC Name:
5-bromo-1-pyrimidin-2-ylindole
InChI:
InChI=1S/C12H8BrN3/c13-10-2-3-11-9(8-10)4-7-16(11)12-14-5-1-6-15-12/h1-8H
InChI Key:
DRYBGGWKKVJXJQ-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)ccn2c1ncccn1
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.99g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.121g/mol
Monoisotopic Mass:
272.99g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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