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Home > Aldehydes > 2059943-83-6
2059943-83-6 | 1-(2-aminoethyl)-2-chloro-1H-imidazole-5-carbaldehyde
CAS No: 2059943-83-6 Catalog No: AG01BX3B MDL No:MFCD30477672
Product Description
Catalog Number:
AG01BX3B
Chemical Name:
1-(2-aminoethyl)-2-chloro-1H-imidazole-5-carbaldehyde
CAS Number:
2059943-83-6
Molecular Formula:
C6H8ClN3O
Molecular Weight:
173.6002
MDL Number:
MFCD30477672
IUPAC Name:
3-(2-aminoethyl)-2-chloroimidazole-4-carbaldehyde
InChI:
InChI=1S/C6H8ClN3O/c7-6-9-3-5(4-11)10(6)2-1-8/h3-4H,1-2,8H2
InChI Key:
AMZFCWPMILEJHH-UHFFFAOYSA-N
SMILES:
NCCn1c(Cl)ncc1C=O
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.036g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.6g/mol
Monoisotopic Mass:
173.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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