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412352-51-3 | Carbonochloridic acid,1H-benzimidazol-2-yl ester
CAS No: 412352-51-3 Catalog No: AG0072TW MDL No:
Product Description
Catalog Number:
AG0072TW
Chemical Name:
Carbonochloridic acid,1H-benzimidazol-2-yl ester
CAS Number:
412352-51-3
Molecular Formula:
C8H5ClN2O2
Molecular Weight:
196.5905
IUPAC Name:
1H-benzimidazol-2-yl carbonochloridate
InChI:
InChI=1S/C8H5ClN2O2/c9-7(12)13-8-10-5-3-1-2-4-6(5)11-8/h1-4H,(H,10,11)
InChI Key:
UVHWJDNDJALUNW-UHFFFAOYSA-N
SMILES:
ClC(=O)Oc1nc2c([nH]1)cccc2
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.004g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.59g/mol
Monoisotopic Mass:
196.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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