CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Vat brown 1 is a fine, dark brown to black crystalline powder with a slight odor. (NTP, 1992) |
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Melting Point | greater than 572 °F (NTP, 1992) |
Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
COMPUTED DESCRIPTORS
Molecular Weight | 646.6 g/mol |
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XLogP3 | 7.7 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 0 |
Exact Mass | 646.11648630 g/mol |
Monoisotopic Mass | 646.11648630 g/mol |
Topological Polar Surface Area | 134 Ų |
Heavy Atom Count | 50 |
Formal Charge | 0 |
Complexity | 1460 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Vat brown 1 is a fine, dark brown to black crystalline powder with a slight odor. (NTP, 1992)