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85382-32-7 | 1-Butanol, 4-iodo-, formate
CAS No: 85382-32-7 Catalog No: AG004KTX MDL No:
Product Description
Catalog Number:
AG004KTX
Chemical Name:
1-Butanol, 4-iodo-, formate
CAS Number:
85382-32-7
Molecular Formula:
C5H11IO3
Molecular Weight:
246.0435
IUPAC Name:
formic acid;4-iodobutan-1-ol
InChI:
InChI=1S/C4H9IO.CH2O2/c5-3-1-2-4-6;2-1-3/h6H,1-4H2;1H,(H,2,3)
InChI Key:
BMUZNFVVHQUPGI-UHFFFAOYSA-N
SMILES:
OCCCCI.OC=O
Properties
Complexity:
33.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.975g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.044g/mol
Monoisotopic Mass:
245.975g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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