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1804129-02-9

1804129-02-9 | 1H-Imidazole-2-methanol, 5-bromo-

CAS No: 1804129-02-9 Catalog No: AG0021Z8 MDL No:

Product Description

Catalog Number:
AG0021Z8
Chemical Name:
1H-Imidazole-2-methanol, 5-bromo-
CAS Number:
1804129-02-9
Molecular Formula:
C4H5BrN2O
Molecular Weight:
176.9993
IUPAC Name:
(5-bromo-1H-imidazol-2-yl)methanol
InChI:
InChI=1S/C4H5BrN2O/c5-3-1-6-4(2-8)7-3/h1,8H,2H2,(H,6,7)
InChI Key:
ABAMLDFAOYYEGL-UHFFFAOYSA-N
SMILES:
OCc1ncc([nH]1)Br

Properties

Complexity:
80.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.959g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
177.001g/mol
Monoisotopic Mass:
175.959g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  

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