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474706-38-2 | 4-Bromo-5-(4-methoxyphenyl)-1H-pyrazole
CAS No: 474706-38-2 Catalog No: AG003KYS MDL No:MFCD11855867
Product Description
Catalog Number:
AG003KYS
Chemical Name:
4-Bromo-5-(4-methoxyphenyl)-1H-pyrazole
CAS Number:
474706-38-2
Molecular Formula:
C10H9BrN2O
Molecular Weight:
253.0953
MDL Number:
MFCD11855867
IUPAC Name:
4-bromo-5-(4-methoxyphenyl)-1H-pyrazole
InChI:
InChI=1S/C10H9BrN2O/c1-14-8-4-2-7(3-5-8)10-9(11)6-12-13-10/h2-6H,1H3,(H,12,13)
InChI Key:
ZIFDJJKFCUVOJH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1[nH]ncc1Br
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.99g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.099g/mol
Monoisotopic Mass:
251.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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