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17487-98-8

17487-98-8 | 1H-Imidazole, 5-bromo-4-chloro-

CAS No: 17487-98-8 Catalog No: AG00200F MDL No:MFCD00127816

Product Description

Catalog Number:
AG00200F
Chemical Name:
1H-Imidazole, 5-bromo-4-chloro-
CAS Number:
17487-98-8
Molecular Formula:
C3H2BrClN2
Molecular Weight:
181.4184
MDL Number:
MFCD00127816
IUPAC Name:
4-bromo-5-chloro-1H-imidazole
InChI:
InChI=1S/C3H2BrClN2/c4-2-3(5)7-1-6-2/h1H,(H,6,7)
InChI Key:
KRHIYYYHTXGSDW-UHFFFAOYSA-N
SMILES:
Clc1nc[nH]c1Br
NSC Number:
222404

Properties

Complexity:
70  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.909g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.417g/mol
Monoisotopic Mass:
179.909g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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