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Home > Boronic Acids > 1072946-38-3
1072946-38-3 | 2,3,4-Trichloro-5-nitrophenylboronic acid
CAS No: 1072946-38-3 Catalog No: AG003FE1 MDL No:MFCD11053804
Product Description
Catalog Number:
AG003FE1
Chemical Name:
2,3,4-Trichloro-5-nitrophenylboronic acid
CAS Number:
1072946-38-3
Molecular Formula:
C6H3BCl3NO4
Molecular Weight:
270.2623
MDL Number:
MFCD11053804
IUPAC Name:
(2,3,4-trichloro-5-nitrophenyl)boronic acid
InChI:
InChI=1S/C6H3BCl3NO4/c8-4-2(7(12)13)1-3(11(14)15)5(9)6(4)10/h1,12-13H
InChI Key:
ZUBMJZYQEWYAHH-UHFFFAOYSA-N
SMILES:
OB(c1cc([N+](=O)[O-])c(c(c1Cl)Cl)Cl)O
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.922g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.253g/mol
Monoisotopic Mass:
268.922g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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