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1199773-38-0 | 1H-Pyrazole-1-carboxylic acid, 3-(4-bromophenyl)-, 1,1-dimethylethyl ester
CAS No: 1199773-38-0 Catalog No: AG000PX4 MDL No:MFCD13195721
Product Description
Catalog Number:
AG000PX4
Chemical Name:
1H-Pyrazole-1-carboxylic acid, 3-(4-bromophenyl)-, 1,1-dimethylethyl ester
CAS Number:
1199773-38-0
Molecular Formula:
C14H15BrN2O2
Molecular Weight:
323.1851
MDL Number:
MFCD13195721
IUPAC Name:
tert-butyl 3-(4-bromophenyl)pyrazole-1-carboxylate
InChI:
InChI=1S/C14H15BrN2O2/c1-14(2,3)19-13(18)17-9-8-12(16-17)10-4-6-11(15)7-5-10/h4-9H,1-3H3
InChI Key:
ADHWVLXKXGZHBB-UHFFFAOYSA-N
SMILES:
O=C(n1ccc(n1)c1ccc(cc1)Br)OC(C)(C)C
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.032g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.19g/mol
Monoisotopic Mass:
322.032g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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