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Home > Boronic Acids > 1191061-96-7
1191061-96-7 | 4-(1-Benzyl-1h-pyrazol-4-yl)phenylboronic acid
CAS No: 1191061-96-7 Catalog No: AG00HEX3 MDL No:
Product Description
Catalog Number:
AG00HEX3
Chemical Name:
4-(1-Benzyl-1h-pyrazol-4-yl)phenylboronic acid
CAS Number:
1191061-96-7
IUPAC Name:
[4-(1-benzylpyrazol-4-yl)phenyl]boronic acid
InChI:
InChI=1S/C16H15BN2O2/c20-17(21)16-8-6-14(7-9-16)15-10-18-19(12-15)11-13-4-2-1-3-5-13/h1-10,12,20-21H,11H2
InChI Key:
QMXXGHDFCQLIOU-UHFFFAOYSA-N
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.123g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.118g/mol
Monoisotopic Mass:
278.123g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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