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149756-98-9 | Carbamic acid, [5-(methoxyphenylmethyl)-1H-benzimidazol-2-yl]-, methyl ester (9CI)
CAS No: 149756-98-9 Catalog No: AG001LZQ MDL No:
Product Description
Catalog Number:
AG001LZQ
Chemical Name:
Carbamic acid, [5-(methoxyphenylmethyl)-1H-benzimidazol-2-yl]-, methyl ester (9CI)
CAS Number:
149756-98-9
Molecular Formula:
C17H17N3O3
Molecular Weight:
311.3352
IUPAC Name:
N-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]-N-methylcarbamate
InChI:
InChI=1S/C17H17N3O3/c1-19(17(21)22)16-18-14-8-3-4-9-15(14)20(16)11-12-6-5-7-13(10-12)23-2/h3-10H,11H2,1-2H3,(H,21,22)/p-1
InChI Key:
JBTKKBCTULDDPU-UHFFFAOYSA-M
SMILES:
COC(c1ccc2c(c1)nc([nH]2)NC(=O)OC)c1ccccc1
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.119g/mol
Formal Charge:
-1
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.333g/mol
Monoisotopic Mass:
310.119g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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