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13338-49-3 | 1H-Imidazole, 2-(chloromethyl)-4,5-dihydro-, hydrochloride (1:1)
CAS No: 13338-49-3 Catalog No: AG0014R7 MDL No:MFCD04115823
Product Description
Catalog Number:
AG0014R7
Chemical Name:
1H-Imidazole, 2-(chloromethyl)-4,5-dihydro-, hydrochloride (1:1)
CAS Number:
13338-49-3
Molecular Formula:
C4H8Cl2N2
Molecular Weight:
155.0257
MDL Number:
MFCD04115823
IUPAC Name:
2-(chloromethyl)-4,5-dihydro-1H-imidazole;hydrochloride
InChI:
InChI=1S/C4H7ClN2.ClH/c5-3-4-6-1-2-7-4;/h1-3H2,(H,6,7);1H
InChI Key:
GHCCHMFFNHOXEU-UHFFFAOYSA-N
SMILES:
ClCC1=NCCN1.Cl
NSC Number:
187479
Properties
Complexity:
89.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.006g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
155.022g/mol
Monoisotopic Mass:
154.006g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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