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4886-30-0 | 1H-Benzimidazole,1-butyl-(9CI)
CAS No: 4886-30-0 Catalog No: AG00DB71 MDL No:MFCD00464045
Product Description
Catalog Number:
AG00DB71
Chemical Name:
1H-Benzimidazole,1-butyl-(9CI)
CAS Number:
4886-30-0
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
MDL Number:
MFCD00464045
IUPAC Name:
1-butylbenzimidazole
InChI:
InChI=1S/C11H14N2/c1-2-3-8-13-9-12-10-6-4-5-7-11(10)13/h4-7,9H,2-3,8H2,1H3
InChI Key:
SHPPDRZENGVOOR-UHFFFAOYSA-N
SMILES:
CCCCn1cnc2c1cccc2
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.116g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.247g/mol
Monoisotopic Mass:
174.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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