Home Other Building Blocks ART-CHEM-ACB ACB003582

ART-CHEM-ACB ACB003582

CAS No.:
1177277-81-4
Catalog Number:
AG01AS49
Molecular Formula:
C7H12IN3
Molecular Weight:
265.0947
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Product Description
Catalog Number:
AG01AS49
Chemical Name:
ART-CHEM-ACB ACB003582
CAS Number:
1177277-81-4
Molecular Formula:
C7H12IN3
Molecular Weight:
265.0947
MDL Number:
MFCD14586481
IUPAC Name:
2-(4-iodo-3,5-dimethylpyrazol-1-yl)ethanamine
InChI:
InChI=1S/C7H12IN3/c1-5-7(8)6(2)11(10-5)4-3-9/h3-4,9H2,1-2H3
InChI Key:
AFGGZRCCYBRQOT-UHFFFAOYSA-N
SMILES:
NCCn1nc(c(c1C)I)C
Properties
Complexity:
131  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.008g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
265.098g/mol
Monoisotopic Mass:
265.008g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties