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Home > Bromides > 1245258-73-4
1245258-73-4 | 1H-Pyrazole-4-carboxylic acid, 5-bromo-1-(4-bromophenyl)-, ethyl ester
CAS No: 1245258-73-4 Catalog No: AG000M5A MDL No:MFCD17206200
Product Description
Catalog Number:
AG000M5A
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 5-bromo-1-(4-bromophenyl)-, ethyl ester
CAS Number:
1245258-73-4
Molecular Formula:
C12H10Br2N2O2
Molecular Weight:
374.0280
MDL Number:
MFCD17206200
IUPAC Name:
ethyl 5-bromo-1-(4-bromophenyl)pyrazole-4-carboxylate
InChI:
InChI=1S/C12H10Br2N2O2/c1-2-18-12(17)10-7-15-16(11(10)14)9-5-3-8(13)4-6-9/h3-7H,2H2,1H3
InChI Key:
XULFKUOLFNWIOK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1Br)c1ccc(cc1)Br
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.909g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.032g/mol
Monoisotopic Mass:
371.911g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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