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1353878-19-9 | tert-butyl N-(3-iodo-5-nitrophenyl)carbamate
CAS No: 1353878-19-9 Catalog No: AG00IZH8 MDL No:MFCD20921570
Product Description
Catalog Number:
AG00IZH8
Chemical Name:
tert-butyl N-(3-iodo-5-nitrophenyl)carbamate
CAS Number:
1353878-19-9
Molecular Formula:
C11H13IN2O4
Molecular Weight:
364.1364
MDL Number:
MFCD20921570
IUPAC Name:
tert-butyl N-(3-iodo-5-nitrophenyl)carbamate
InChI:
InChI=1S/C11H13IN2O4/c1-11(2,3)18-10(15)13-8-4-7(12)5-9(6-8)14(16)17/h4-6H,1-3H3,(H,13,15)
InChI Key:
WYGVIKBMRWQNJH-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1cc(I)cc(c1)[N+](=O)[O-]
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.992g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
364.139g/mol
Monoisotopic Mass:
363.992g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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