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131020-45-6 | 1H-Benzimidazole-5-carbonyl chloride, 4,5,6,7-tetrahydro-1-methyl-
CAS No: 131020-45-6 Catalog No: AG000VCE MDL No:
Product Description
Catalog Number:
AG000VCE
Chemical Name:
1H-Benzimidazole-5-carbonyl chloride, 4,5,6,7-tetrahydro-1-methyl-
CAS Number:
131020-45-6
Molecular Formula:
C9H11ClN2O
Molecular Weight:
198.6494
IUPAC Name:
1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carbonyl chloride
InChI:
InChI=1S/C9H11ClN2O/c1-12-5-11-7-4-6(9(10)13)2-3-8(7)12/h5-6H,2-4H2,1H3
InChI Key:
DDNCJIBYSUKELP-UHFFFAOYSA-N
SMILES:
ClC(=O)C1CCc2c(C1)ncn2C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.65g/mol
Monoisotopic Mass:
198.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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