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1269294-14-5 | 1H-Pyrazole-3-carboxylic acid, 5-amino-1-(2-bromophenyl)-, ethyl ester
CAS No: 1269294-14-5 Catalog No: AG000WEY MDL No:MFCD07388467
Product Description
Catalog Number:
AG000WEY
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-amino-1-(2-bromophenyl)-, ethyl ester
CAS Number:
1269294-14-5
Molecular Formula:
C12H12BrN3O2
Molecular Weight:
310.1466
MDL Number:
MFCD07388467
IUPAC Name:
ethyl 5-amino-1-(2-bromophenyl)pyrazole-3-carboxylate
InChI:
InChI=1S/C12H12BrN3O2/c1-2-18-12(17)9-7-11(14)16(15-9)10-6-4-3-5-8(10)13/h3-7H,2,14H2,1H3
InChI Key:
ALHBMYSUAXQXAG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn(c(c1)N)c1ccccc1Br
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.011g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.151g/mol
Monoisotopic Mass:
309.011g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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