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Home > Boronic Acids > 179942-55-3
179942-55-3 | 4-(2H-TETRAZOL-5-YL)-PHENYLBORONIC ACID
CAS No: 179942-55-3 Catalog No: AG00APB5 MDL No:MFCD11044435
Product Description
Catalog Number:
AG00APB5
Chemical Name:
4-(2H-TETRAZOL-5-YL)-PHENYLBORONIC ACID
CAS Number:
179942-55-3
Molecular Formula:
C7H7BN4O2
Molecular Weight:
189.9671
MDL Number:
MFCD11044435
IUPAC Name:
[4-(2H-tetrazol-5-yl)phenyl]boronic acid
InChI:
InChI=1S/C7H7BN4O2/c13-8(14)6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4,13-14H,(H,9,10,11,12)
InChI Key:
DXUPJOQUAAVAGV-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)c1n[nH]nn1)O
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.066g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
189.969g/mol
Monoisotopic Mass:
190.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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