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Home > Bromides > 1005615-47-3
1005615-47-3 | 1H-Pyrazole-1-propanoic acid, 4-bromo-α-methyl-, methyl ester
CAS No: 1005615-47-3 Catalog No: AG0002C6 MDL No:MFCD04967354
Product Description
Catalog Number:
AG0002C6
Chemical Name:
1H-Pyrazole-1-propanoic acid, 4-bromo-α-methyl-, methyl ester
CAS Number:
1005615-47-3
Molecular Formula:
C8H11BrN2O2
Molecular Weight:
247.0891
MDL Number:
MFCD04967354
IUPAC Name:
methyl 3-(4-bromopyrazol-1-yl)-2-methylpropanoate
InChI:
InChI=1S/C8H11BrN2O2/c1-6(8(12)13-2)4-11-5-7(9)3-10-11/h3,5-6H,4H2,1-2H3
InChI Key:
DPUDEVDDEIUTCA-UHFFFAOYSA-N
SMILES:
CC(C(=O)OC)Cn1cc(cn1)Br
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.092g/mol
Monoisotopic Mass:
246g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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