Home Halogens 2-[(4-bromo-1H-pyrazol-1-yl)methyl]-4-(propan-2-yl)morpholine

2-[(4-bromo-1H-pyrazol-1-yl)methyl]-4-(propan-2-yl)morpholine

CAS No.:
1463800-49-8
Catalog Number:
AG01BEU7
Molecular Formula:
C11H18BrN3O
Molecular Weight:
288.1841
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Product Description
Catalog Number:
AG01BEU7
Chemical Name:
2-[(4-bromo-1H-pyrazol-1-yl)methyl]-4-(propan-2-yl)morpholine
CAS Number:
1463800-49-8
Molecular Formula:
C11H18BrN3O
Molecular Weight:
288.1841
MDL Number:
MFCD21407649
IUPAC Name:
2-[(4-bromopyrazol-1-yl)methyl]-4-propan-2-ylmorpholine
InChI:
InChI=1S/C11H18BrN3O/c1-9(2)14-3-4-16-11(7-14)8-15-6-10(12)5-13-15/h5-6,9,11H,3-4,7-8H2,1-2H3
InChI Key:
FXCVWEOHVAKVCG-UHFFFAOYSA-N
SMILES:
CC(N1CCOC(C1)Cn1ncc(c1)Br)C
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.063g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.189g/mol
Monoisotopic Mass:
287.063g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
30.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties