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1314987-85-3

1314987-85-3 | 1H-Benzimidazole, 5-bromo-6-fluoro-1-(1-methylethyl)-

CAS No: 1314987-85-3 Catalog No: AG000WCR MDL No:MFCD19684119

Product Description

Catalog Number:
AG000WCR
Chemical Name:
1H-Benzimidazole, 5-bromo-6-fluoro-1-(1-methylethyl)-
CAS Number:
1314987-85-3
Molecular Formula:
C10H10BrFN2
Molecular Weight:
257.1022
MDL Number:
MFCD19684119
IUPAC Name:
5-bromo-6-fluoro-1-propan-2-ylbenzimidazole
InChI:
InChI=1S/C10H10BrFN2/c1-6(2)14-5-13-9-3-7(11)8(12)4-10(9)14/h3-6H,1-2H3
InChI Key:
PSRVEAXHAVOZSK-UHFFFAOYSA-N
SMILES:
Brc1cc2ncn(c2cc1F)C(C)C

Properties

Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.001g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.106g/mol
Monoisotopic Mass:
256.001g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

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