4-(Methoxycarbonyl)-3-nitrophenylboronic Acid - CAS 85107-56-8
Catalog: |
BB037478 |
Product Name: |
4-(Methoxycarbonyl)-3-nitrophenylboronic Acid |
CAS: |
85107-56-8 |
Synonyms: |
(4-methoxycarbonyl-3-nitrophenyl)boronic acid; (4-methoxycarbonyl-3-nitrophenyl)boronic acid |
IUPAC Name: | (4-methoxycarbonyl-3-nitrophenyl)boronic acid |
Description: | 4-(Methoxycarbonyl)-3-nitrophenylboronic Acid (CAS# 85107-56-8) is a useful research chemical. |
Molecular Weight: | 224.96 |
Molecular Formula: | C8H8NO6B |
Canonical SMILES: | B(C1=CC(=C(C=C1)C(=O)OC)[N+](=O)[O-])(O)O |
InChI: | InChI=1S/C8H8BNO6/c1-16-8(11)6-3-2-5(9(12)13)4-7(6)10(14)15/h2-4,12-13H,1H3 |
InChI Key: | NLNDQDNATQPFEC-UHFFFAOYSA-N |
LogP: | -0.41560 |
Complexity: | 278 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.0444671 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.0444671 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 113 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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