Home Halogens 1-benzyl-5-bromo-1H-pyrazole-4-carboxylic acid

1-benzyl-5-bromo-1H-pyrazole-4-carboxylic acid

CAS No.:
1565634-23-2
Catalog Number:
AG01CA7M
Molecular Formula:
C11H9BrN2O2
Molecular Weight:
281.1054
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Product Description
Catalog Number:
AG01CA7M
Chemical Name:
1-benzyl-5-bromo-1H-pyrazole-4-carboxylic acid
CAS Number:
1565634-23-2
Molecular Formula:
C11H9BrN2O2
Molecular Weight:
281.1054
MDL Number:
MFCD26813955
IUPAC Name:
1-benzyl-5-bromopyrazole-4-carboxylic acid
InChI:
InChI=1S/C11H9BrN2O2/c12-10-9(11(15)16)6-13-14(10)7-8-4-2-1-3-5-8/h1-6H,7H2,(H,15,16)
InChI Key:
SCTGGLGFFRNEBW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn(c1Br)Cc1ccccc1
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.985g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
281.109g/mol
Monoisotopic Mass:
279.985g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties