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Home > Imidazoles > 1934979-29-9
1934979-29-9 | tert-butyl N-{5H,6H,7H-pyrrolo[1,2-c]imidazol-6-yl}carbamate
CAS No: 1934979-29-9 Catalog No: AG01AUE2 MDL No:MFCD31420785
Product Description
Catalog Number:
AG01AUE2
Chemical Name:
tert-butyl N-{5H,6H,7H-pyrrolo[1,2-c]imidazol-6-yl}carbamate
CAS Number:
1934979-29-9
Molecular Formula:
C11H17N3O2
Molecular Weight:
223.2716
MDL Number:
MFCD31420785
IUPAC Name:
tert-butyl N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)carbamate
InChI:
InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)13-8-4-9-5-12-7-14(9)6-8/h5,7-8H,4,6H2,1-3H3,(H,13,15)
InChI Key:
JABKITWPYBMVCB-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1Cn2c(C1)cnc2
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.132g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.276g/mol
Monoisotopic Mass:
223.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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