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591-39-9 | Allophanic acid 2-iodoethyl ester
CAS No: 591-39-9 Catalog No: AG00EMYD MDL No:
Product Description
Catalog Number:
AG00EMYD
Chemical Name:
Allophanic acid 2-iodoethyl ester
CAS Number:
591-39-9
IUPAC Name:
2-iodoethyl N-carbamoylcarbamate
InChI:
InChI=1S/C4H7IN2O3/c5-1-2-10-4(9)7-3(6)8/h1-2H2,(H3,6,7,8,9)
InChI Key:
BTTKYHSJGWPGIG-UHFFFAOYSA-N
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.95g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.015g/mol
Monoisotopic Mass:
257.95g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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