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Home > Imidazoles > 885270-97-3
885270-97-3 | tert-Butyl 1H-benzo[d]imidazol-5-ylcarbamate
CAS No: 885270-97-3 Catalog No: AG0046Y9 MDL No:MFCD04114572
Product Description
Catalog Number:
AG0046Y9
Chemical Name:
tert-Butyl 1H-benzo[d]imidazol-5-ylcarbamate
CAS Number:
885270-97-3
Molecular Formula:
C12H15N3O2
Molecular Weight:
233.2664
MDL Number:
MFCD04114572
IUPAC Name:
tert-butyl N-(3H-benzimidazol-5-yl)carbamate
InChI:
InChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)15-8-4-5-9-10(6-8)14-7-13-9/h4-7H,1-3H3,(H,13,14)(H,15,16)
InChI Key:
IBUAABBZOJRHDZ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc2c(c1)nc[nH]2
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.271g/mol
Monoisotopic Mass:
233.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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