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2060045-31-8 | 2-chloro-1-(methoxymethyl)-1H-imidazole-5-carbaldehyde
CAS No: 2060045-31-8 Catalog No: AG01BX3K MDL No:MFCD30477680
Product Description
Catalog Number:
AG01BX3K
Chemical Name:
2-chloro-1-(methoxymethyl)-1H-imidazole-5-carbaldehyde
CAS Number:
2060045-31-8
Molecular Formula:
C6H7ClN2O2
Molecular Weight:
174.5850
MDL Number:
MFCD30477680
IUPAC Name:
2-chloro-3-(methoxymethyl)imidazole-4-carbaldehyde
InChI:
InChI=1S/C6H7ClN2O2/c1-11-4-9-5(3-10)2-8-6(9)7/h2-3H,4H2,1H3
InChI Key:
XQLRMOUEVNXADO-UHFFFAOYSA-N
SMILES:
COCn1c(Cl)ncc1C=O
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.584g/mol
Monoisotopic Mass:
174.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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