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Home > Boronic Acids > 899438-46-1
899438-46-1 | Boronic acid, 7-quinazolinyl-
CAS No: 899438-46-1 Catalog No: AG00IFWD MDL No:MFCD10697419
Product Description
Catalog Number:
AG00IFWD
Chemical Name:
Boronic acid, 7-quinazolinyl-
CAS Number:
899438-46-1
Molecular Formula:
C8H7BN2O2
Molecular Weight:
173.9644
MDL Number:
MFCD10697419
IUPAC Name:
quinazolin-7-ylboronic acid
InChI:
InChI=1S/C8H7BN2O2/c12-9(13)7-2-1-6-4-10-5-11-8(6)3-7/h1-5,12-13H
InChI Key:
WAPOSZXCZRHKGA-UHFFFAOYSA-N
SMILES:
OB(c1ccc2c(c1)ncnc2)O
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.06g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
173.966g/mol
Monoisotopic Mass:
174.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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