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30418-59-8 | Boronic acid, B-(3-aminophenyl)-
CAS No: 30418-59-8 Catalog No: AG00302L MDL No:MFCD00007755
Product Description
Catalog Number:
AG00302L
Chemical Name:
Boronic acid, B-(3-aminophenyl)-
CAS Number:
30418-59-8
Molecular Formula:
C6H8BNO2
Molecular Weight:
136.9442
MDL Number:
MFCD00007755
IUPAC Name:
(3-aminophenyl)boronic acid
InChI:
InChI=1S/C6H8BNO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H,8H2
InChI Key:
JMZFEHDNIAQMNB-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)B(O)O
EC Number:
250-189-0
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.065g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
136.945g/mol
Monoisotopic Mass:
137.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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