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20559-55-1 | Carbamic acid, N-(6-propoxy-1H-benzimidazol-2-yl)-, methyl ester
CAS No: 20559-55-1 Catalog No: AG002A8Q MDL No:MFCD00133728
Product Description
Catalog Number:
AG002A8Q
Chemical Name:
Carbamic acid, N-(6-propoxy-1H-benzimidazol-2-yl)-, methyl ester
CAS Number:
20559-55-1
Molecular Formula:
C12H15N3O3
Molecular Weight:
249.2658
MDL Number:
MFCD00133728
IUPAC Name:
methyl N-(6-propoxy-1H-benzimidazol-2-yl)carbamate
InChI:
InChI=1S/C12H15N3O3/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
InChI Key:
RAOCRURYZCVHMG-UHFFFAOYSA-N
SMILES:
CCCOc1ccc2c(c1)[nH]c(n2)NC(=O)OC
EC Number:
243-877-7
UNII:
022N12KJ0X
NSC Number:
758459
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.27g/mol
Monoisotopic Mass:
249.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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