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Home > Boronic Acids > 1072945-91-5
1072945-91-5 | 1-(2-Chlorophenyl)pyrazole-4-boronic acid
CAS No: 1072945-91-5 Catalog No: AG003CU3 MDL No:MFCD09972101
Product Description
Catalog Number:
AG003CU3
Chemical Name:
1-(2-Chlorophenyl)pyrazole-4-boronic acid
CAS Number:
1072945-91-5
Molecular Formula:
C9H8BClN2O2
Molecular Weight:
222.4360
MDL Number:
MFCD09972101
IUPAC Name:
[1-(2-chlorophenyl)pyrazol-4-yl]boronic acid
InChI:
InChI=1S/C9H8BClN2O2/c11-8-3-1-2-4-9(8)13-6-7(5-12-13)10(14)15/h1-6,14-15H
InChI Key:
MVLVNKOFJKGBIG-UHFFFAOYSA-N
SMILES:
Clc1ccccc1n1ncc(c1)B(O)O
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.037g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.435g/mol
Monoisotopic Mass:
222.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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