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98642-46-7 | Carbamic acid, (3-iodopropyl)methyl-, 1,1-dimethylethyl ester
CAS No: 98642-46-7 Catalog No: AG0067BT MDL No:
Product Description
Catalog Number:
AG0067BT
Chemical Name:
Carbamic acid, (3-iodopropyl)methyl-, 1,1-dimethylethyl ester
CAS Number:
98642-46-7
Molecular Formula:
C9H18INO2
Molecular Weight:
299.1492
IUPAC Name:
tert-butyl N-(3-iodopropyl)-N-methylcarbamate
InChI:
InChI=1S/C9H18INO2/c1-9(2,3)13-8(12)11(4)7-5-6-10/h5-7H2,1-4H3
InChI Key:
QXIIYPWMHHFHHY-UHFFFAOYSA-N
SMILES:
ICCCN(C(=O)OC(C)(C)C)C
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.152g/mol
Monoisotopic Mass:
299.038g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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