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Home > Bromides > 1326811-82-8
1326811-82-8 | 1H-Pyrazole-3-carboxylic acid, 5-(3-bromophenyl)-, ethyl ester
CAS No: 1326811-82-8 Catalog No: AG0010ZB MDL No:MFCD11046322
Product Description
Catalog Number:
AG0010ZB
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-(3-bromophenyl)-, ethyl ester
CAS Number:
1326811-82-8
Molecular Formula:
C12H11BrN2O2
Molecular Weight:
295.1319
MDL Number:
MFCD11046322
IUPAC Name:
ethyl 3-(3-bromophenyl)-1H-pyrazole-5-carboxylate
InChI:
InChI=1S/C12H11BrN2O2/c1-2-17-12(16)11-7-10(14-15-11)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3,(H,14,15)
InChI Key:
KUJTYJNKBBDFIY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1n[nH]c(c1)c1cccc(c1)Br
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.136g/mol
Monoisotopic Mass:
294g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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