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164583-78-2 | Carbamic acid, (1-methyl-1H-imidazol-2-yl)-, phenylmethyl ester (9CI)
CAS No: 164583-78-2 Catalog No: AG001UY6 MDL No:MFCD20527387
Product Description
Catalog Number:
AG001UY6
Chemical Name:
Carbamic acid, (1-methyl-1H-imidazol-2-yl)-, phenylmethyl ester (9CI)
CAS Number:
164583-78-2
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
MDL Number:
MFCD20527387
IUPAC Name:
benzyl N-(1-methylimidazol-2-yl)carbamate
InChI:
InChI=1S/C12H13N3O2/c1-15-8-7-13-11(15)14-12(16)17-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,13,14,16)
InChI Key:
QKXFQXFBJVBTCM-UHFFFAOYSA-N
SMILES:
O=C(Nc1nccn1C)OCc1ccccc1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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