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Home > Boronic Acids > 850567-38-3
850567-38-3 | (3-((1H-tetrazol-5-yl)carbamoyl)phenyl)boronic acid hydrochloride
CAS No: 850567-38-3 Catalog No: AG004SIG MDL No:MFCD06659888
Product Description
Catalog Number:
AG004SIG
Chemical Name:
(3-((1H-tetrazol-5-yl)carbamoyl)phenyl)boronic acid hydrochloride
CAS Number:
850567-38-3
Molecular Formula:
C8H9BClN5O3
Molecular Weight:
269.4528
MDL Number:
MFCD06659888
IUPAC Name:
[3-(2H-tetrazol-5-ylcarbamoyl)phenyl]boronic acid;hydrochloride
InChI:
InChI=1S/C8H8BN5O3.ClH/c15-7(10-8-11-13-14-12-8)5-2-1-3-6(4-5)9(16)17;/h1-4,16-17H,(H2,10,11,12,13,14,15);1H
InChI Key:
PWSGJXZLSYWEAJ-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)B(O)O)Nc1nnn[nH]1.Cl
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.049g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
269.452g/mol
Monoisotopic Mass:
269.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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