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1217500-82-7

1217500-82-7 | Boronic acid, B-[2-[(dimethylamino)methyl]-5-nitrophenyl]-

CAS No: 1217500-82-7 Catalog No: AG0015QR MDL No:MFCD12025993

Product Description

Catalog Number:
AG0015QR
Chemical Name:
Boronic acid, B-[2-[(dimethylamino)methyl]-5-nitrophenyl]-
CAS Number:
1217500-82-7
Molecular Formula:
C9H13BN2O4
Molecular Weight:
224.0215
MDL Number:
MFCD12025993
IUPAC Name:
[2-[(dimethylamino)methyl]-5-nitrophenyl]boronic acid
InChI:
InChI=1S/C9H13BN2O4/c1-11(2)6-7-3-4-8(12(15)16)5-9(7)10(13)14/h3-5,13-14H,6H2,1-2H3
InChI Key:
MMPDPMGUOBVIPN-UHFFFAOYSA-N
SMILES:
CN(Cc1ccc(cc1B(O)O)[N+](=O)[O-])C

Properties

Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.097g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
224.023g/mol
Monoisotopic Mass:
224.097g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
89.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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