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123511-50-2 | 1H-Benzimidazole-2-carboxaldehyde,1-propyl-(9CI)
CAS No: 123511-50-2 Catalog No: AG00AH2O MDL No:MFCD03130243
Product Description
Catalog Number:
AG00AH2O
Chemical Name:
1H-Benzimidazole-2-carboxaldehyde,1-propyl-(9CI)
CAS Number:
123511-50-2
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
MDL Number:
MFCD03130243
IUPAC Name:
1-propylbenzimidazole-2-carbaldehyde
InChI:
InChI=1S/C11H12N2O/c1-2-7-13-10-6-4-3-5-9(10)12-11(13)8-14/h3-6,8H,2,7H2,1H3
InChI Key:
YQXBQNVSLZRMGK-UHFFFAOYSA-N
SMILES:
CCCn1c(C=O)nc2c1cccc2
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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