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2173999-55-6 | 2-(chloromethyl)-1H-imidazole-4-carboxylic acid hydrochloride
CAS No: 2173999-55-6 Catalog No: AG01FKYH MDL No:
Product Description
Catalog Number:
AG01FKYH
Chemical Name:
2-(chloromethyl)-1H-imidazole-4-carboxylic acid hydrochloride
CAS Number:
2173999-55-6
Molecular Formula:
C5H6Cl2N2O2
Molecular Weight:
197.0193
IUPAC Name:
2-(chloromethyl)-1H-imidazole-5-carboxylic acid;hydrochloride
InChI:
InChI=1S/C5H5ClN2O2.ClH/c6-1-4-7-2-3(8-4)5(9)10;/h2H,1H2,(H,7,8)(H,9,10);1H
InChI Key:
HZGPJQREOGKYPZ-UHFFFAOYSA-N
SMILES:
ClCc1[nH]cc(n1)C(=O)O.Cl
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.981g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
197.015g/mol
Monoisotopic Mass:
195.981g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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