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Home > Boronic Acids > 775351-30-9
775351-30-9 | 3-(1H-Tetrazol-5-yl)phenylboronic Acid
CAS No: 775351-30-9 Catalog No: AG008OW8 MDL No:MFCD11044436
Product Description
Catalog Number:
AG008OW8
Chemical Name:
3-(1H-Tetrazol-5-yl)phenylboronic Acid
CAS Number:
775351-30-9
Molecular Formula:
C7H7BN4O2
Molecular Weight:
189.9671
MDL Number:
MFCD11044436
IUPAC Name:
[3-(2H-tetrazol-5-yl)phenyl]boronic acid
InChI:
InChI=1S/C7H7BN4O2/c13-8(14)6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4,13-14H,(H,9,10,11,12)
InChI Key:
XMJKBDSKRITXBW-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)c1nnn[nH]1)O
Properties
Complexity:
195
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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