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Home > Bromides > 1216620-65-3
1216620-65-3 | Imidodicarbonic acid, 2-(4-bromo-2-pyridinyl)-, 1,3-bis(1,1-dimethylethyl) ester
CAS No: 1216620-65-3 Catalog No: AG0015J8 MDL No:MFCD11973674
Product Description
Catalog Number:
AG0015J8
Chemical Name:
Imidodicarbonic acid, 2-(4-bromo-2-pyridinyl)-, 1,3-bis(1,1-dimethylethyl) ester
CAS Number:
1216620-65-3
Molecular Formula:
C15H21BrN2O4
Molecular Weight:
373.2422
MDL Number:
MFCD11973674
IUPAC Name:
tert-butyl N-(4-bromopyridin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
InChI:
InChI=1S/C15H21BrN2O4/c1-14(2,3)21-12(19)18(13(20)22-15(4,5)6)11-9-10(16)7-8-17-11/h7-9H,1-6H3
InChI Key:
CNKRGILVFOHONI-UHFFFAOYSA-N
SMILES:
O=C(N(c1nccc(c1)Br)C(=O)OC(C)(C)C)OC(C)(C)C
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.068g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.247g/mol
Monoisotopic Mass:
372.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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