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847818-54-6 | [2-(4-Bromopyrazol-1-yl);ethyl]dimethylamine
CAS No: 847818-54-6 Catalog No: AG004XSU MDL No:MFCD12405648
Product Description
Catalog Number:
AG004XSU
Chemical Name:
[2-(4-Bromopyrazol-1-yl);ethyl]dimethylamine
CAS Number:
847818-54-6
Molecular Formula:
C7H12BrN3
Molecular Weight:
218.0943
MDL Number:
MFCD12405648
IUPAC Name:
2-(4-bromopyrazol-1-yl)-N,N-dimethylethanamine
InChI:
InChI=1S/C7H12BrN3/c1-10(2)3-4-11-6-7(8)5-9-11/h5-6H,3-4H2,1-2H3
InChI Key:
PFLATUFKWOFXNU-UHFFFAOYSA-N
SMILES:
CN(CCn1ncc(c1)Br)C
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.021g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.098g/mol
Monoisotopic Mass:
217.021g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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