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1200114-01-7 | 1H-Benzimidazole, 5-bromo-1-(1-methylethyl)-
CAS No: 1200114-01-7 Catalog No: AG000Q2I MDL No:MFCD21609571
Product Description
Catalog Number:
AG000Q2I
Chemical Name:
1H-Benzimidazole, 5-bromo-1-(1-methylethyl)-
CAS Number:
1200114-01-7
Molecular Formula:
C10H11BrN2
Molecular Weight:
239.1117
MDL Number:
MFCD21609571
IUPAC Name:
5-bromo-1-propan-2-ylbenzimidazole
InChI:
InChI=1S/C10H11BrN2/c1-7(2)13-6-12-9-5-8(11)3-4-10(9)13/h3-7H,1-2H3
InChI Key:
MVNOCKJHUYTFKL-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)ncn2C(C)C
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.011g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.116g/mol
Monoisotopic Mass:
238.011g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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