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1029439-61-9 | (4-((naphthalen-1-ylamino)methyl)phenyl)boronic acid
CAS No: 1029439-61-9 Catalog No: AG01FL7F MDL No:
Product Description
Catalog Number:
AG01FL7F
Chemical Name:
(4-((naphthalen-1-ylamino)methyl)phenyl)boronic acid
CAS Number:
1029439-61-9
Molecular Formula:
C17H16BNO2
Molecular Weight:
277.1254
IUPAC Name:
[4-[(naphthalen-1-ylamino)methyl]phenyl]boronic acid
InChI:
InChI=1S/C17H16BNO2/c20-18(21)15-10-8-13(9-11-15)12-19-17-7-3-5-14-4-1-2-6-16(14)17/h1-11,19-21H,12H2
InChI Key:
BSMMKWBLXDFJMG-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)CNc1cccc2c1cccc2)O
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.127g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
277.13g/mol
Monoisotopic Mass:
277.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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