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Home > Bromides > 1228633-25-7
1228633-25-7 | 1H-Benzimidazole, 6-bromo-2-(2S)-2-pyrrolidinyl-
CAS No: 1228633-25-7 Catalog No: AG000JMQ MDL No:
Product Description
Catalog Number:
AG000JMQ
Chemical Name:
1H-Benzimidazole, 6-bromo-2-(2S)-2-pyrrolidinyl-
CAS Number:
1228633-25-7
Molecular Formula:
C11H12BrN3
Molecular Weight:
266.1371
IUPAC Name:
6-bromo-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
InChI:
InChI=1S/C11H12BrN3/c12-7-3-4-8-10(6-7)15-11(14-8)9-2-1-5-13-9/h3-4,6,9,13H,1-2,5H2,(H,14,15)/t9-/m0/s1
InChI Key:
PLYWSAKJBMMUMD-VIFPVBQESA-N
SMILES:
Brc1ccc2c(c1)[nH]c(n2)[C@@H]1CCCN1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
265.021g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.142g/mol
Monoisotopic Mass:
265.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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