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1019009-68-7 | 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(2-bromophenyl)-, ethyl ester
CAS No: 1019009-68-7 Catalog No: AG0005VL MDL No:MFCD06637280
Product Description
Catalog Number:
AG0005VL
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 5-amino-1-(2-bromophenyl)-, ethyl ester
CAS Number:
1019009-68-7
Molecular Formula:
C12H12BrN3O2
Molecular Weight:
310.1466
MDL Number:
MFCD06637280
IUPAC Name:
ethyl 5-amino-1-(2-bromophenyl)pyrazole-4-carboxylate
InChI:
InChI=1S/C12H12BrN3O2/c1-2-18-12(17)8-7-15-16(11(8)14)10-6-4-3-5-9(10)13/h3-7H,2,14H2,1H3
InChI Key:
VHRXOCZHFUSLBV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1N)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:
3
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