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Home > Bromides > 1020722-66-0
1020722-66-0 | 1H-Pyrazole-5-carboxylic acid, 4-bromo-1-ethyl-3-(2-methylpropyl)-
CAS No: 1020722-66-0 Catalog No: AG0006KW MDL No:
Product Description
Catalog Number:
AG0006KW
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 4-bromo-1-ethyl-3-(2-methylpropyl)-
CAS Number:
1020722-66-0
Molecular Formula:
C10H15BrN2O2
Molecular Weight:
275.1423
IUPAC Name:
4-bromo-2-ethyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid
InChI:
InChI=1S/C10H15BrN2O2/c1-4-13-9(10(14)15)8(11)7(12-13)5-6(2)3/h6H,4-5H2,1-3H3,(H,14,15)
InChI Key:
PEIKPZBBHPNEPD-UHFFFAOYSA-N
SMILES:
CCn1nc(c(c1C(=O)O)Br)CC(C)C
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.032g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.146g/mol
Monoisotopic Mass:
274.032g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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