Home Bromides 114382-20-6
114382-20-6,MFCD01940435
Catalog No.:AA000B57
114382-20-6 | 1H-Pyrazole, 3-(2-bromophenyl)-
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1g
1 week  
$375.00   $263.00
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Technical Information
Catalog Number:
AA000B57
Chemical Name:
1H-Pyrazole, 3-(2-bromophenyl)-
CAS Number:
114382-20-6
Molecular Formula:
C9H7BrN2
Molecular Weight:
223.0693
MDL Number:
MFCD01940435
IUPAC Name:
5-(2-bromophenyl)-1H-pyrazole
InChI:
InChI=1S/C9H7BrN2/c10-8-4-2-1-3-7(8)9-5-6-11-12-9/h1-6H,(H,11,12)
InChI Key:
VDHTYVJAQNZWTD-UHFFFAOYSA-N
SMILES:
Brc1ccccc1c1cc[nH]n1
Properties
Computed Properties
 
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.979g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.073g/mol
Monoisotopic Mass:
221.979g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

Synonyms
 
3-(2-bromophenyl)-1H-pyrazole 
114382-20-6 
AC1Q255L 
SCHEMBL4098897 
CTK4A8712 
DTXSID20370833 
ZINC4293886 
SBB096440 
AKOS009157802 
AKOS022929673 
3-(2-Bromophenyl)pyrazole, AldrichCPR 
AJ-50404 
3-(2-Bromophenyl)pyrazole 
AJ-50405 
AN-33313 
SC-45203 
DB-002479 
RT-008304 
FT-0759267 
382B206 
A803179 
I14-9632 
ZINC04293886 
5-(2-bromophenyl)-1H-pyrazole 
CID2735612 
1H-Pyrazole,3-(2-bromophenyl)- 
MFCD01940435 
3-(2-BROMO-PHENYL)-1H-PYRAZOLE 
3-o-bromophenylpyrazole 
AC1MC3PJ 
ACMC-1C4Z7 
Literature
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