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823180-23-0 | Carbamic acid, (3,3-diiodopropyl)-, phenylmethyl ester
CAS No: 823180-23-0 Catalog No: AG004ZK0 MDL No:
Product Description
Catalog Number:
AG004ZK0
Chemical Name:
Carbamic acid, (3,3-diiodopropyl)-, phenylmethyl ester
CAS Number:
823180-23-0
Molecular Formula:
C11H13I2NO2
Molecular Weight:
445.0354
IUPAC Name:
benzyl N-(3,3-diiodopropyl)carbamate
InChI:
InChI=1S/C11H13I2NO2/c12-10(13)6-7-14-11(15)16-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,15)
InChI Key:
UJQDZYUPRRJPSH-UHFFFAOYSA-N
SMILES:
IC(CCNC(=O)OCc1ccccc1)I
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.904g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
445.039g/mol
Monoisotopic Mass:
444.904g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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