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83898-40-2 | 2H-Benzimidazol-2-one,1-[3-[(aminocarbonyl)oxy]propyl]-5-chloro-1,3-dihydro-
CAS No: 83898-40-2 Catalog No: AG004RFQ MDL No:
Product Description
Catalog Number:
AG004RFQ
Chemical Name:
2H-Benzimidazol-2-one,1-[3-[(aminocarbonyl)oxy]propyl]-5-chloro-1,3-dihydro-
CAS Number:
83898-40-2
Molecular Formula:
C11H12ClN3O3
Molecular Weight:
269.6843
IUPAC Name:
3-(5-chloro-2-oxo-3H-benzimidazol-1-yl)propyl carbamate
InChI:
InChI=1S/C11H12ClN3O3/c12-7-2-3-9-8(6-7)14-11(17)15(9)4-1-5-18-10(13)16/h2-3,6H,1,4-5H2,(H2,13,16)(H,14,17)
InChI Key:
YTVJAXFMGJKLOV-UHFFFAOYSA-N
SMILES:
NC(=O)OCCCn1c(=O)[nH]c2c1ccc(c2)Cl
EC Number:
281-249-4
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.057g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.685g/mol
Monoisotopic Mass:
269.057g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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