Home Aminos Boronicacid, [2-[(methylphenylamino)methyl]phenyl]- (9CI)

Boronicacid, [2-[(methylphenylamino)methyl]phenyl]- (9CI)

CAS No.:
172940-58-8
Catalog Number:
AG007C0F
Molecular Formula:
C14H16BNO2
Molecular Weight:
241.0933
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Product Description
Catalog Number:
AG007C0F
Chemical Name:
Boronicacid, [2-[(methylphenylamino)methyl]phenyl]- (9CI)
CAS Number:
172940-58-8
Molecular Formula:
C14H16BNO2
Molecular Weight:
241.0933
MDL Number:
MFCD03452759
IUPAC Name:
[2-[(N-methylanilino)methyl]phenyl]boronic acid
InChI:
InChI=1S/C14H16BNO2/c1-16(13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)15(17)18/h2-10,17-18H,11H2,1H3
InChI Key:
NKQAMYVFGSUOKY-UHFFFAOYSA-N
SMILES:
CN(c1ccccc1)Cc1ccccc1B(O)O
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.127g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
241.097g/mol
Monoisotopic Mass:
241.127g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties